[ CAS No. 2495-39-8 ] {[proInfo.proName]}

Name: 2495-39-8|Sodium Allylsulfonate|94%
Brand: Ambeed
SKU: A375292
Price: 5.0 USD
Availability: InStock
Rating: 99 (29 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D 3D

Structure of 2495-39-8 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 2495-39-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2495-39-8 ]

SDS Specification

Alternatived Products of [ 2495-39-8 ]

Product Details of [ 2495-39-8 ]

CAS No. :	2495-39-8	MDL No. :	MFCD00051416
Formula :	C₃H₅NaO₃S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DIKJULDDNQFCJG-UHFFFAOYSA-M
M.W :	144.12	Pubchem ID :	23690996
Synonyms :

Calculated chemistry of [ 2495-39-8 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.33
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	24.75
TPSA :	65.58 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.35 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-8.38
Log Po/w (XLOGP3) :	-0.24
Log Po/w (WLOGP) :	0.8
Log Po/w (MLOGP) :	-0.24
Log Po/w (SILICOS-IT) :	-0.54
Consensus Log Po/w :	-1.72

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.45
Solubility :	51.1 mg/ml ; 0.355 mol/l
Class :	Very soluble
Log S (Ali) :	-0.68
Solubility :	30.2 mg/ml ; 0.209 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.04
Solubility :	133.0 mg/ml ; 0.923 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.48

Safety of [ 2495-39-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 2495-39-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 2495-39-8 ]

[ 2495-39-8 ] Synthesis Path-Downstream 1~14

1
[ 2495-39-8 ]
[ 14418-84-9 ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; at 70℃; for 36h;	A suspension of sodium allylsulfonate (2.0 g) in thionyl chloride (10.4 mL) was heated at 70C and stirred for 1.5 days. The insoluble material was removed by filtration, and the solvent of the filtrate was removed under reduced pressure. The obtained residue was dissolved in dry tetrahydrofuran (10 mL), and the solvent was removed under reduced pressure. The obtained residue was again dissolved in dry tetrahydrofuran (10 mL), and the solvent was removed under reduced pressure to give allylsulfonyl chloride (1.26 g). To a suspension ofN-benzyloxycarbonyl-1,2-diaminoethane hydrochloride (0.82 g) and triethylamine (0.63 g) in dichloromethane (5 mL) was added allylsulfonyl chloride (0.25 g) at room temperature, and the mixture was stirred overnight. The reaction was quenched by addition of water, and the organic layer of the resulting mixture was separated. The organic layer was washed with 1 mol/L hydrochloric acid, a saturated aqueous sodium hydrogen carbonate solution and brine successively, and dried over anhydrous sodium sulfate. The solvent was removed under reduced pressure to giveN-(2-benzyloxycarbonylaminoethyl)allylsulfonamide (82 mg). This material was dissolved in acetonitrile (0.25 mL). To the solution were added 3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-4-[(4-bromophenyl)methyl]-5-isopropyl-1H-pyrazole (70 mg), triethylamine (57 mg), palladium acetate (II) (3 mg) and tris(2-methylphenyl)phosphine (7 mg), and the mixture was refluxed overnight under shading the light. The solvent was removed under reduced pressure, and the residue was dissolved in methanol (0.5 mL). To this solution was added 5 mol/L aqueous sodium hydroxide solution (0.25 mL), and the mixture was stirred at room temperature for 1 hour. The insoluble material was removed by filtration, and the filtrate was purified by preparative reverse phase column chromatography (Shiseido CAPCELL PAK UG120 ODS, 5 muL, 120A, 20x50mm, flow rate 30mL/minute linear gradient, water/methanol = 90/10 - 10/90) to give 4-({4-[(1E)-3-(2-benzyloxycarbonylaminoethylsulfamoyl)prop-1-enyl]phenyl}methyl)-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole (14 mg). This material was dissolved in methanol (0.5 mL). To the solution was added 10% palladium-carbon powder (5 mg), and the mixture was stirred at room temperature under a hydrogen atmosphere for 3 hours. The insoluble material was removed by filtration, and the solvent of the filtrate was removed under reduced pressure to give the title compound (10 mg).1H-NMR (CD3OD) delta ppm: 1.1-1.2 (6H, m), 2.0-2.1 (2H, m), 2.65-2.75 (4H, m), 2.85-2.95 (1H, m), 2.95-3.05 (4H, m), 3.25-3.45 (4H, m), 3.6-3.9 (4H, m), 5.0-5:1 (1H, m), 7.05-7.2 (4H, m)
2.95 g	With thionyl chloride; In benzene; at 20 - 65℃; for 1h;Inert atmosphere;	Preparation of prop-2-ene-1-sulfonyl chloride (22): In a flask was added sodium prop-2-ene-1-sulfonate (21, 4 g 27.75 mmol), followed by dropwise addition of thionyl chloride (10 mL, 137.09 mmol, 4.9 eq) at room temperature. The mixture was then stirred at 65 C. under nitrogen for 1 hrs. Due to stirring difficulty, benzene (5 mL) and thionyl chloride (2 mL) were added. The mixture was stirred at 65 C. under nitrogen, overnight. After the mixture was cooled to room temperature, TBME (30 mL) and sodium sulfate were added. The mixture was stirred for 30 min and filtered through a layer of silica gel. The filtrate was concentrated to give compound 22 as a pale brown liquid (2.95 g, 76 yield), which was used in next step without purification.
	With oxalyl dichloride; N,N-dimethyl-formamide; at 0 - 20℃;	To a stirred solution of sodium prop-2-ene-1-sulfonate (7 g, 48.61 mmol) in oxalyl chloride (70 mL), DMF (1.5 mL) was added at 0C and stirred at room temperature for 3 h. Progress of the reaction was monitored by TLC. After completion of the reaction, the reaction mixture was concentrated and the residue was trituration with ether to afford 10. Yield: 3.6 g, crude.

3.2 g	With trichlorophosphate; In neat (no solvent); at 120℃; for 4h;	A solution of sodium prop-2-ene-l -sulfonate 190 (15 g, 104.17 mmol) in POCl3 (100 mL) was stirred at 120 C for 4h. After completion of reaction, POCI3 was removed completely under reduced pressure. Residue was diluted with ethyl acetate (200 mL), organic layer was washed with water (100 mL x 3), dried over sodium sulphate and evaporated under reduced pressure to get crude prop-2-ene-l-sulfonyl chloride 191 (3.2 g, 22 %) as colorless liquid which was directly used as such for the next step. 1H NMR (400 MHz, DMSO-
	With trichlorophosphate; at 0℃; for 5h;Reflux;	Prop-2-ene-1-sulfonyl chloride (1) was prepared by ourmodification on the reported method28 as in the following: To a stirred solution of allyl bromide (12.10 g,0.1mol) in 100 mL distilled water was added Na2SO3 (15 g, 0.12mol). The reaction mixture was refluxed for 8hthen left to cool to room temperature. The reaction mixture was washed with Et2O several times and theaqueous layer was evaporated under reduced pressure. The crude product was washed with methanol,filtered off and left to dry to afford (10.2g, 0.07 mol, 71% yield) of sodium allysulfonate. The latter crudeproduct was stirred at zero temperature with 30 mL of POCl3 for 1/2 h then refluxed for 5 h and left to cool toroom temperature. 100 mL of THF was then added to the mixture then filtered off and washed several timeswith dry THF. The filtrate was evaporated carefully on rotavapor and the residue was distilled under vacuum (5mbar). Allylsulfonyl chloride was separated with boiling point range 37-43 oC as coreless oil (71%).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 78 - 84
[2]Journal of the American Chemical Society,1992,vol. 114,p. 1743 - 1749
[3]Patent: EP1544208,2005,A1 .Location in patent: Page/Page column 41-42
[4]Chemistry - A European Journal,2013,vol. 19,p. 857 - 860
[5]Patent: US2017/240545,2017,A1 .Location in patent: Paragraph 0088; 0108
[6]European Journal of Organic Chemistry,2018,vol. 2018,p. 1774 - 1784
[7]Patent: WO2018/98204,2018,A1 .Location in patent: Paragraph 0780
[8]Patent: WO2018/98206,2018,A1 .Location in patent: Paragraph 0993
[9]Angewandte Chemie - International Edition,2018,vol. 57,p. 12940 - 12944
Angew. Chem.,2018,vol. 130,p. 13122 - 13126,5
[10]Organic Letters,2018,vol. 20,p. 5817 - 5820
[11]Arkivoc,2019,vol. 2019,p. 19 - 29

2
[ 107-05-1 ]
[ 2495-39-8 ]

Yield	Reaction Conditions	Operation in experiment
75%	With sodium sulfite In ethanol for 4h; Heating;
75%	With sodium sulfite In ethanol; water for 4h; Heating;
	With sodium sulfite In 1,2-dimethoxyethane; water for 24h; Heating;

	With sodium sulfite In water at 20℃; Micellar solution;
	With sodium sulfite In ethanol; water for 18h; Reflux;

Reference： [1]Tian, Li; Xu, Guo-Yan; Ye, Yong; Liu, Lun-Zu [Synthesis, 2003, # 9, p. 1329 - 1334]
[2]Tian, Li; Xu, Guo-Yan; Ye, Yong; Liu, Lun-Zu [Journal of Heterocyclic Chemistry, 2003, vol. 40, # 6, p. 1071 - 1074]
[3]King; Lam; Skonieczny [Journal of the American Chemical Society, 1992, vol. 114, # 5, p. 1743 - 1749]
[4]Orekhov; Kazantsev; Sivokhin; Khokhlova [Russian Journal of Applied Chemistry, 2014, vol. 87, # 7, p. 881 - 886][Zh. Prikl. Khim. (S.-Peterburg, Russ. Fed.), 2014, vol. 87, # 7, p. 888 - 893,6]
[5]Górski, Bartosz; Basiak, Dariusz; Talko, Alicja; Basak, Tymoteusz; Mazurek, Tomasz; Barbasiewicz, Michał [European Journal of Organic Chemistry, 2018, vol. 2018, # 15, p. 1774 - 1784]

3
[ 2495-39-8 ]
[ 51116-03-1 ]

Yield	Reaction Conditions	Operation in experiment
100%	With bromine In water at 20℃; for 2h;
	With bromine In water
	With bromine In water for 2h; Ambient temperature; Yield given;

	With bromine In water at 20℃; for 3h;	1.1 1, bromination reaction The mass percentage is 95% sodium allylate 7.5 kg (49 mol) dissolved in 30 kg of pure water.7.8 kg (49 mol) of bromine was added dropwise at room temperature, and the addition was completed in about 2 h. The reaction was stopped at room temperature for 1 h to stop the reaction.A small amount of sodium sulfite was added until the solution became colorless, and the pH was adjusted to 6 to 7 with 20% sodium carbonate to obtain an aqueous solution of sodium 2,3-dibromopropanesulfonate of about 40 L.
	With bromine; sodium bromide In water at 20℃; for 3h; Large scale;	1.1 1, bromination reaction 7.5 kg of 95% sodium allyl sulfonate (49 mol) was dissolved in 30 kg of pure water, and 1 kg of sodium bromide (9.72 mol) was added thereto to stir and dissolve at room temperature, and 7.9 kg of bromine (49 mol) was added dropwise, and the addition was completed in about 2 h. The reaction was continued at room temperature for 1 h, the reaction was stopped, a small amount of sodium sulfite was added until the solution became colorless, and the pH was adjusted to 6-7 with 20% sodium carbonate.An aqueous solution of sodium 2,3-dibromopropane sulfonate was obtained in an amount of about 40 L

Reference： [1]Tian, Li; Xu, Guo-Yan; Ye, Yong; Liu, Lun-Zu [Synthesis, 2003, # 9, p. 1329 - 1334] Tian, Li; Xu, Guo-Yan; Ye, Yong; Liu, Lun-Zu [Journal of Heterocyclic Chemistry, 2003, vol. 40, # 6, p. 1071 - 1074]
[2]Lee, Albert W. M.; Chan; Jiang; Poon [Chemical Communications, 1997, # 6, p. 611 - 612]
[3]Jiang, La Sheng; Chan, Wing Hong; Lee, Albert W. M. [Tetrahedron, 1999, vol. 55, # 8, p. 2245 - 2262]
[4]Current Patent Assignee: SHANGHAI WONDER PHARMACEUTICAL CO LTD - CN104311466, 2017, B Location in patent: Paragraph 0032; 0035; 0036; 0037
[5]Current Patent Assignee: SHANGHAI WONDER PHARMACEUTICAL CO LTD - CN109651211, 2019, A Location in patent: Paragraph 0038; 0039; 0040; 0041; 0042

4
[ 106-95-6 ]
[ 2495-39-8 ]

Yield	Reaction Conditions	Operation in experiment
78%	With sodium sulfite
76%	With sodium sulfite In ethanol; water for 3h; Heating / reflux;	1 Preparation of (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid (Compound N20); To a boiling solution of allyl bromide (21.6 mL, 250 mmol) in a solvent mixture of EtOH and H2O (200 mL, v/v=3:1) was added dropwise a solution of sodium sulfite (15.75 g, 125 mmol) in water (60 mL). The reaction mixture was heated under reflux for 3 hours, and concentrated to dryness under reduced pressure. The obtained white solid was suspended in EtOH in water (130 mL, 90%), heated for 30 minutes, cooled to room temperature, and collected by filtration, giving sodium prop-2-ene-1-sulfonate (14 g, 76%); 1H NMR (500 MHz, D2O) δ 3.55 (d, J=7.3 Hz, 2H), 5.35-5.41 (m, 2H), 5.85-6.00 (m, 1H). To a stirred solution of sulfonate obtained from step 1 (12.0 g, 84 mmol) in water (48 mL) was added bromine (about 4.5 mL) dropwise with stirring until the solution turned pale brown. The solution was stirred at room temperature for 3 hours. A small amount of Na2SO3 was added to destroy the excess bromine. The solvent was then removed in vacuo and a white solid was obtained. Without further purification, the 2,3-dibromo-1-propanesulfonate was treated with concentrated HCl (50 mL) by stirring at room temperature for 1 day. The precipitate (inorganic salt) was removed by filtration. The filtrate was concentrated to yellow syrup. Without further purification, the syrup residue was subjected to vacuum distillation at 140-150° C. to give 2-bromo-1,3-propane sultone (6.5 g, 32%); 1H NMR (500 MHz, CDCl3) δ 3.52 (dd, J=14.0 & 7.0 Hz, 1H), 3.88 (dd, J=14.0 & 7.0 Hz, 1H), 4.50-4.60 (m, 1H), 4.70-4.82 (m, 2H). To a solution of 2-bromo-1,3-propane sultone (obtained in Step 2, 8.0 g, 39.80 mmol) in toluene (200 mL) was added NEt3 (9 mL, 65 mmol). The reaction mixture was stirred for 3 h (or until complete consumption of the starting material), diluted with an aqueous solution of HCl (1 M), and extracted twice with EtOAc. The organic layer was dried over Na2SO4 and concentrated to give 1,3-prop-1-ene sultone (4.5 g, 94%) as a white solid; 1H NMR (500 MHz, CDCl3) δ 5.11 (dd, J=2.2 & 2.2 Hz, 2H), 6.80 (dt, J=6.6 & 2.2 Hz, 1H), 7.00 (dt, J=6.6 & 2.0 Hz, 1H); 13C NMR (125 MHz, CDCl3) δ 72.54, 124.76, 137.04. To a solution of 1,3-prop-1-ene sultone (obtained in step 3, 36 mg, 3 mmol) in THF (5 mL) was added tert-butylamine (316 μL, 3 mmol). The reaction mixture was refluxed for 4 h, and then concentrated to dryness. The residual solid material was suspended in a solvent mixture of EtOH, acetone and ether, heated for 15 minutes, and cooled to room temperature. The solid was collected by filtration, washed with ether then dried, providing the title compound (130 mg, 22%); 1H NMR (500 MHz, D2O) δ 1.24 (s, 9H), 4.00 (d, J=7.0 Hz, 2H), 5.94 (m, 1H), 6.50 (d, J=11.0 Hz, 1H). 13C NMR (125 MHz, D2O) δ 25.08, 37.84, 57.63, 127.81, 136.08. ES-MS 192 (M-1).
75%	With sodium sulfite In ethanol; water for 2.5h; Heating;

	With sodium sulfite In water for 24h; Reflux;
	With sodium sulfite In water at 100℃;	80.1 Step-i: Synthesis of sodium prop-2-ene-i-sulfonate: To a stirred mixture of ally bromide (4.00 g, 33.05 mmol) in water (30 mL), Na2SO3 (8.33 g, 66.11 mmol) was added and heated at 100°C for 6h. The progress of the reaction was monitored by TLC. After completion of the reaction, the reaction mixture was quenched with water and washed with ether. The aqueous layer was concentrated to dryness to afford sodium prop-2-ene-1-sulfonate. Yield: 7 g, crude; NMR: ‘HNMR (400 IVIHz, Deuterium Oxide) 5.97 - 5.95 (m, 1H), 5.29 - 5.06 (m, 2H), 3.17 - 2.89 (m, 2H).
	With sodium sulfite In water at 100℃; for 16h;	127.1 Step-1: Synthesis of sodium prop-2-ene-l-sulfonate (190): To a stirred mixture of allyl bromide (15 g, 123.97 mmol) in water (150 mL) was added sodium sulfite (15.7 g, 247.93 mmol) and the reaction mixture was stirred at 100 °C for 16h. Reaction mixture was cooled to room temperature, additional 50 mL of water was added and aqueous layer was extracted with diethyl ether (50 mL x 2). Aqueous layer was concentrated under reduced pressure to afford sodium prop-2-ene-l -sulfonate (22 g crude) as a colourless solid. 1H NMR (400 MHz, D20) δ 3.69 (d, J=7.28 Hz, 2 H), 5.38-5.40 (m, 1 H), 5.44 (d, J=9.03 Hz, 1 H), 5.92 - 6.03 (m, 1 H).
	With sodium sulfite In water for 8h; Reflux;	Prop-2-ene-1-sulfonyl chloride (1) was prepared by ourmodification on the reported method28 as in the following: To a stirred solution of allyl bromide (12.10 g,0.1mol) in 100 mL distilled water was added Na2SO3 (15 g, 0.12mol). The reaction mixture was refluxed for 8hthen left to cool to room temperature. The reaction mixture was washed with Et2O several times and theaqueous layer was evaporated under reduced pressure. The crude product was washed with methanol,filtered off and left to dry to afford (10.2g, 0.07 mol, 71% yield) of sodium allysulfonate. The latter crudeproduct was stirred at zero temperature with 30 mL of POCl3 for 1/2 h then refluxed for 5 h and left to cool toroom temperature. 100 mL of THF was then added to the mixture then filtered off and washed several timeswith dry THF. The filtrate was evaporated carefully on rotavapor and the residue was distilled under vacuum (5mbar). Allylsulfonyl chloride was separated with boiling point range 37-43 oC as coreless oil (71%).

Reference： [1]Lee, Albert W. M.; Chan; Jiang; Poon [Chemical Communications, 1997, # 6, p. 611 - 612]
[2]Current Patent Assignee: BELLUS HEALTH INC. - US2006/223855, 2006, A1 Location in patent: Page/Page column 173-174
[3]Jiang, La Sheng; Chan, Wing Hong; Lee, Albert W. M. [Tetrahedron, 1999, vol. 55, # 8, p. 2245 - 2262]
[4]Clarisse, Damien; Pelotier, Béatrice; Fache, Fabienne [Chemistry - A European Journal, 2013, vol. 19, # 3, p. 857 - 860]
[5]Current Patent Assignee: CV6 THERAPEUTICS - WO2018/98204, 2018, A1 Location in patent: Paragraph 0779
[6]Current Patent Assignee: CV6 THERAPEUTICS - WO2018/98206, 2018, A1 Location in patent: Paragraph 0992
[7]Ali, Korany A.; Metz, Peter [Arkivoc, 2019, vol. 2019, # 5, p. 19 - 29]

5
[ 2495-39-8 ]
[ 769861-83-8 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: sodium prop-2-ene-1-sulfonate With bromine In water at 20℃; for 2h; Stage #2: With hydrogenchloride In water at 20℃; for 24h;

Reference： [1]Tian, Li; Xu, Guo-Yan; Ye, Yong; Liu, Lun-Zu [Journal of Heterocyclic Chemistry, 2003, vol. 40, # 6, p. 1071 - 1074]

6
[ 2495-39-8 ]
[ 189756-89-6 ]

Yield	Reaction Conditions	Operation in experiment
32%	Stage #1: sodium prop-2-ene-1-sulfonate With bromine In water at 20℃; for 3h; Stage #2: With hydrogenchloride In water at 20℃; for 24h;	1 Preparation of (Z)-3-(tert-butylamino)prop-1-ene-1-sulfonic acid (Compound N20); To a boiling solution of allyl bromide (21.6 mL, 250 mmol) in a solvent mixture of EtOH and H2O (200 mL, v/v=3:1) was added dropwise a solution of sodium sulfite (15.75 g, 125 mmol) in water (60 mL). The reaction mixture was heated under reflux for 3 hours, and concentrated to dryness under reduced pressure. The obtained white solid was suspended in EtOH in water (130 mL, 90%), heated for 30 minutes, cooled to room temperature, and collected by filtration, giving sodium prop-2-ene-1-sulfonate (14 g, 76%); 1H NMR (500 MHz, D2O) δ 3.55 (d, J=7.3 Hz, 2H), 5.35-5.41 (m, 2H), 5.85-6.00 (m, 1H). To a stirred solution of sulfonate obtained from step 1 (12.0 g, 84 mmol) in water (48 mL) was added bromine (about 4.5 mL) dropwise with stirring until the solution turned pale brown. The solution was stirred at room temperature for 3 hours. A small amount of Na2SO3 was added to destroy the excess bromine. The solvent was then removed in vacuo and a white solid was obtained. Without further purification, the 2,3-dibromo-1-propanesulfonate was treated with concentrated HCl (50 mL) by stirring at room temperature for 1 day. The precipitate (inorganic salt) was removed by filtration. The filtrate was concentrated to yellow syrup. Without further purification, the syrup residue was subjected to vacuum distillation at 140-150° C. to give 2-bromo-1,3-propane sultone (6.5 g, 32%); 1H NMR (500 MHz, CDCl3) δ 3.52 (dd, J=14.0 & 7.0 Hz, 1H), 3.88 (dd, J=14.0 & 7.0 Hz, 1H), 4.50-4.60 (m, 1H), 4.70-4.82 (m, 2H). To a solution of 2-bromo-1,3-propane sultone (obtained in Step 2, 8.0 g, 39.80 mmol) in toluene (200 mL) was added NEt3 (9 mL, 65 mmol). The reaction mixture was stirred for 3 h (or until complete consumption of the starting material), diluted with an aqueous solution of HCl (1 M), and extracted twice with EtOAc. The organic layer was dried over Na2SO4 and concentrated to give 1,3-prop-1-ene sultone (4.5 g, 94%) as a white solid; 1H NMR (500 MHz, CDCl3) δ 5.11 (dd, J=2.2 & 2.2 Hz, 2H), 6.80 (dt, J=6.6 & 2.2 Hz, 1H), 7.00 (dt, J=6.6 & 2.0 Hz, 1H); 13C NMR (125 MHz, CDCl3) δ 72.54, 124.76, 137.04. To a solution of 1,3-prop-1-ene sultone (obtained in step 3, 36 mg, 3 mmol) in THF (5 mL) was added tert-butylamine (316 μL, 3 mmol). The reaction mixture was refluxed for 4 h, and then concentrated to dryness. The residual solid material was suspended in a solvent mixture of EtOH, acetone and ether, heated for 15 minutes, and cooled to room temperature. The solid was collected by filtration, washed with ether then dried, providing the title compound (130 mg, 22%); 1H NMR (500 MHz, D2O) δ 1.24 (s, 9H), 4.00 (d, J=7.0 Hz, 2H), 5.94 (m, 1H), 6.50 (d, J=11.0 Hz, 1H). 13C NMR (125 MHz, D2O) δ 25.08, 37.84, 57.63, 127.81, 136.08. ES-MS 192 (M-1).

Reference： [1]Current Patent Assignee: BELLUS HEALTH INC. - US2006/223855, 2006, A1 Location in patent: Page/Page column 173-174

7
[ 2495-39-8 ]
nickel(II) sulfide [ No CAS ]
[ 7783-06-4 ]
[ 7446-09-5 ]
[ 7704-34-9 ]

Yield	Reaction Conditions	Operation in experiment
	In water Electrochem. Process; on nickel cathode; pH 2 and 7.5; H2S content depends on pH;

Reference： [1]Gotthard, H.; Trivich, D. [Electrochimica Acta, 1962, vol. 7, p. 369 - 383] [Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: SVol.4a/b, 1.1.9.6, page 44 - 45]

8
[ 107-05-1 ]
[ 7757-83-7 ]
[ 2495-39-8 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol reflux, 10-12 h;
	In ethanol reflux, 10-12 h;

Reference： [1][Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: MVol.B2, 3.1.3, page 603 - 607]
[2]Current Patent Assignee: INDUSTRIAL RAYON CORP - US2601256, 1950, A

9
[ 10025-99-7 ]
[ 2495-39-8 ]
[ 56-40-6 ]
[ 80081-29-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium acetate In water-d2 olefin and K2PtCl4 reacted in 1:1 mole ratio in D2O, amino acid and acetate in 1:1 ratio was dissolved in D2O, then evapd. to dryness, to this solid Pt(allylsulfonate)Cl3(2-) dissolved in D2O was added; complexes were monitored by NMR;

Reference： [1]Erickson, Luther E.; Brower, Douglas C. [Inorganic Chemistry, 1982, vol. 21, # 2, p. 838 - 840]

10
[ 10025-99-7 ]
[ 2495-39-8 ]
[ 62-57-7 ]
[ 80081-34-1 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium acetate In water-d2 olefin and K2PtCl4 reacted in 1:1 mole ratio in D2O, amino acid and acetate in 1:1 ratio was dissolved in D2O, then evapd. to dryness, to this solid Pt(allylsulfonate)Cl3(2-) dissolved in D2O was added; complexes were monitored by NMR;

Reference： [1]Erickson, Luther E.; Brower, Douglas C. [Inorganic Chemistry, 1982, vol. 21, # 2, p. 838 - 840]

11
[ 10025-99-7 ]
[ 56-41-7 ]
[ 2495-39-8 ]
[ 80081-31-8 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium acetate In water-d2 olefin and K2PtCl4 reacted in 1:1 mole ratio in D2O, amino acid and acetate in 1:1 ratio was dissolved in D2O, then evapd. to dryness, to this solid Pt(allylsulfonate)Cl3(2-) dissolved in D2O was added; complexes were monitored by NMR;

Reference： [1]Erickson, Luther E.; Brower, Douglas C. [Inorganic Chemistry, 1982, vol. 21, # 2, p. 838 - 840]

12
[ 557-34-6 ]
[ 2495-39-8 ]
2,3-dimercapto-propane-1-sulfonic acid ; sodium-zinc-salt [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
43.2%	Stage #1: sodium prop-2-ene-1-sulfonate With bromine; sodium bromide In water at 5℃; for 0.00416667h; Large scale; Stage #2: With sodium hydrogen sulfide; sodium hydroxide In water at 35℃; for 3h; Large scale; Stage #3: zinc diacetate at 78 - 80℃; for 1.5h; Large scale;	4 Example 4 (Preparation of sodium zinc dimercaptopropanesulfonate complex, the amount of adjuvant sodium bromide was increased to 0.3 equivalents) In the present example, the auxiliary sodium bromide was increased from 1.30 kg (12.63 mol, 0.19 equivalents) to 2.05 kg (19.95 mol, 0.30 equivalents), and the other steps and reaction conditions were the same as in Example 1, step a and step b.Results: The consumption of sodium hydroxide 1.20kg (30.01mol), zinc dimercaptopropane sulfonate complex: 5.71kg (20.86mol), liquid purity of 92.7%, 97.1% after deduction of zinc sulfide, calculated as zinc acetate, Yield 45.7%.Example 1 Step a: Preparation of sodium zinc dimercaptopropanesulfonate complexTo 100L glass reactor, add 40.0kg of purified water, open the stirring (medium speed, 100-120rpm),And 0.30 kg (12.63 mol, 0.19 equivalents) of sodium bromide was added to the stirred mixture of 10.36 kg (93%, 66.85 mol, 1.0 equiv.) Of sodium allylsulfonate, and the low temperature cooling circulating pump was opened.Control the internal temperature of 5 ± 3 slowly add 10.0kg bromine (62.58mol, 0.936eq), about 4 hours dripping finished,After the dropwise addition, the mixture was stirred for 10 min. Slowly add 20% sodium hydroxide,Adjust the reaction solution pH to 6-7,A total of 1.30 kg (32.50 mol) of sodium hydroxide was consumed.Add 7.5kg (content 70%, 94.37mol, 1.41 equivalents) sodium hydrosulfide solid, water bath control 35 ± 5 , keep heating for 3 hours, after the end of the insulation, slowly add acetic acid, generate a lot of hydrogen sulfide gas Hydrogen sulfide), adjusted to pH 4-5, and then evacuated for 30 min to remove residual hydrogen sulfide gas from the solution. (0.5.63 mol, 0.68 equivalent) of zinc acetate dihydrate solid was added, stirred and dissolved, heated to 78-80 ° C. After stirring for 1.5 hours, 31.6 kg of ethanol was slowly added to form a large amount of white precipitate. Slow down to 25 , keep warm for 20min, discharge, rejection filter, filter cake at 60 ± 2 blast drying to constant weight, zinc dimercaptopropane sulfonate zinc complex 20.95kg (about 40mol).Step b: Purification of sodium zinc complex of dimercaptopropane sulfonateThe crude product of 10.90 kg of sodium zinc complex of dimercaptopropane sulfonate was dissolved in 21.0 kg of purified water and then transferred to a 100 L glass reactor. The mixture was stirred (medium speed), heated to 79 ± 1 ° C in a water bath and stirred for 20 min, Slowly add 18.0kg of ethanol, and then heated to 79 ± 1 again, after 20min stirring, adjust the water bath temperature, so that the reaction solution temperature slowly dropped to 15 ± 3 , discharge, centrifugal rejection filter to get sodium dimercaptopropanesulfonate Zinc complex is a refined wet product 11.52kg.A solid product of 11.50 kg of sodium dimercaptopropane sulfonate was dissolved in 18.0 kg of purified water and transferred to a 100 L glass autoclave. The mixture was stirred (medium speed), heated to 79 ± 1 ° C in a water bath and Stir the mixture for 20min, slowly add 16.0kg of ethanol, and then heated to 79 ± 1 , 20min after incubation, adjust the temperature of the water bath, the reaction solution temperature slowly dropped to 15 ± 3 , discharge, centrifugal rejection filter to get two mercapto Sodium zinc sulfonate complex secondary purification of wet goods 10.02kg.A mixture of 9.90 kg of dimercaptopropane sulfonate zinc complex was dissolved in 16.0 kg of purified water and then transferred to a 50 L glass reactor. The mixture was stirred (medium speed), heated to 79 ± 1 ° C in a water bath and Heating and stirring for 20min, slowly adding 7.50kg ethanol, and then heated to 79 ± 1 , keep warm for 20min, adjust the temperature of the water bath, the reaction solution temperature slowly dropped to 15 ± 3 , precipitation of white solid, filtration, ethanol washing washing, 60 ± 2 blast drying to constant weight, get dimethoate sodium sulfide zinc complex fine 5.40kg (19.73mol), liquid purity 91.8%, 95.8% after deduction of zinc sulfide, calculated as zinc acetate, the yield of 43.2 %.

Reference： [1]Current Patent Assignee: HEFEI LIFEON PHARMACEUTICAL - CN106478476, 2017, A Location in patent: Paragraph 0063; 0064; 0065; 0066; 0073-0101; 0112-0123

13
[ 2495-39-8 ]
[ 15909-83-8 ]

Yield	Reaction Conditions	Operation in experiment
	With Perbenzoic acid; sulfuric acid; sodium carbonate; citric acid In water at 80℃; for 1h;	1; 2; 3; 4; 5; 6 A method for preparing 1,3-propane sultone, comprising the steps of: (1) Dissolving calcium chloride in deionized water until the solid dissolves, and the mass concentration is15% calcium chloride solution; adding citric acid to the calcium chloride solution, stirring is continued until the solid dissolves, to obtain a mixed solution A;Wherein the mass ratio of the calcium chloride to the citric acid is 5:0.3;(2) Dissolving sodium polyacrylate in deionized water to obtain a mass concentration ofa 3% polyacrylic acid sodium solution, and slowly added it to the mixed solution A prepared above,After the dropwise addition is completed, the mixture is stirred at 3000 rpm for 30 minutes to prepare a mixed solution B; wherein the sodium acrylate solution has a dropping rate of 1 ml/L;The mass ratio of sodium polyacrylate and calcium chloride is 0.1:1;(3) preparing a sodium carbonate solution having a mass concentration of 20%,Then, the mixed solution B prepared above is quickly added to In the sodium carbonate solution, the precipitate was stirred at 5000 rpm.After the end of the precipitation, it was filtered, and the precipitate was washed with deionized water.Drying to obtain porous calcium carbonate;(4) mixing peroxybenzoic acid and deionized water at 50 ° C until the solid dissolves.Then, porous calcium carbonate was added, immersed for 3 hours, and then cooled to room temperature.Drying, preparing a catalyst; wherein, peroxybenzoic acid,The mass ratio of porous calcium carbonate is 1:15;5)Sodium allyl sulfonateMixed with sulfuric acid solutionIn a three-necked flask,Mix and mix for 10 min at a stirring speed of 1500 rpm.Then, the catalyst prepared above was added, and the temperature was slowly raised to 80 ° C.The reaction was stirred for 1 h, and after the reaction was completed, it was cooled to room temperature, and an ethanol solution of sodium hydroxide was added thereto, and the mixture was stirred for 30 minutes, and then acidified with hydrochloric acid.Producing 3-hydroxypropanesulfonic acid; wherein the sodium allylsulfonate,The mass ratio of the catalyst is 10:1; in the ethanol solution of the sodium hydroxide,The mass ratio of sodium hydroxide to ethanol is 5:15

Reference： [1]Current Patent Assignee: SUZHOU GAIDE FINE MAT - CN108997303, 2018, A Location in patent: Paragraph 0026-0032; 0034-0040; 0042-0048; 0050-0056

14
[ 98-29-3 ]
[ 2495-39-8 ]

Yield	Reaction Conditions	Operation in experiment
98.93%	With sodium metabisulfite; N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 40 - 50℃; under 2250.23 Torr;	930 g of 97% food grade sodium metabisulfite dissolved in 2500 g of deionized water, the temperature of the mixtureRaise to 50 C, stir until sodium metabisulfite is completely dissolved,Add 0.3g of triethylbenzyl chloride to the sodium metabisulfite solutionAmmonium and 0.3 g of polymerization inhibitor p-tert-butyl catechol,After stirring and mixing uniformly, a sodium metabisulfite mixture is obtained;The sodium metabisulfite mixture was passed through three high-precision plungers at a rate of 100 g/min, 1250 g of a 30% sodium hydroxide solution at a rate of 36.44 g/min, and 730 g of allyl chloride at a rate of 21.28 g/min. The metering pump is simultaneously pumped into the microchannel reactor for reaction.Adjust the reaction temperature in the microchannel reactor to 40 C,Adjusting the back pressure valve to make the pressure of the microchannel reactor0.3 MPa, the reaction-reacted crude product was filtered through a fine filter, and 538 g of a clear liquid was collected.The sample was analyzed by HPLC analysis, and the content of sodium allylsulfonate in the product obtained by the method of the present example was25.03%, the yield is 98.93% based on chloropropene.The Hull cell test piece passed the test.

Reference： [1]Patent: CN109232329,2019,A .Location in patent: Paragraph 0023-0034

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 2495-39-8 ]

Alkenes

[ 1561-92-8 ]

Sodium 2-methylprop-2-ene-1-sulfonate

Similarity: 0.81

[ 2695-37-6 ]

Sodium 4-vinylbenzenesulfonate

Similarity: 0.52

[ 304675-74-9 ]

Sodium 4-vinylbenzenesulfonate hydrate

Similarity: 0.52

[ 52556-42-0 ]

Sodium 3-(allyloxy)-2-hydroxypropane-1-sulfonate

Similarity: 0.50

Aliphatic Chain Hydrocarbons

[ 1561-92-8 ]

Sodium 2-methylprop-2-ene-1-sulfonate

Similarity: 0.81

[ 5325-43-9 ]

Sodium ethane-1,2-disulfonate

Similarity: 0.72

[ 2386-53-0 ]

Sodium dodecane-1-sulfonate

Similarity: 0.71

[ 22767-49-3 ]

Sodium pentane-1-sulfonate

Similarity: 0.71

[ 2386-54-1 ]

Sodium butane-1-sulfonate

Similarity: 0.71

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 2495-39-8 ] {[proInfo.proName]}

Quality Control of [ 2495-39-8 ]

Related Doc. of [ 2495-39-8 ]

Product Details of [ 2495-39-8 ]

Calculated chemistry of [ 2495-39-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 2495-39-8 ]

Application In Synthesis of [ 2495-39-8 ]

[ 2495-39-8 ] Synthesis Path-Downstream 1~14

Related Functional Groups of [ 2495-39-8 ]

Alkenes

Aliphatic Chain Hydrocarbons

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 2495-39-8 ]