[ CAS No. 83635-12-5 ] {[proInfo.proName]}

Name: 83635-12-5|Butyl cyclopropanesulfonate|98%
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Quality Control of [ 83635-12-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 83635-12-5 ]

Product Details of [ 83635-12-5 ]

CAS No. :	83635-12-5	MDL No. :	MFCD09261379
Formula :	C₇H₁₄O₃S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VWGWOTXVWXTFMB-UHFFFAOYSA-N
M.W :	178.25	Pubchem ID :	10464888
Synonyms :

Calculated chemistry of [ 83635-12-5 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	5
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	43.7
TPSA :	51.75 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.36 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.04
Log Po/w (XLOGP3) :	1.45
Log Po/w (WLOGP) :	2.31
Log Po/w (MLOGP) :	1.06
Log Po/w (SILICOS-IT) :	0.93
Consensus Log Po/w :	1.56

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.53
Solubility :	5.28 mg/ml ; 0.0296 mol/l
Class :	Very soluble
Log S (Ali) :	-2.14
Solubility :	1.28 mg/ml ; 0.0072 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.75
Solubility :	3.21 mg/ml ; 0.018 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.98

Safety of [ 83635-12-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 83635-12-5 ]

* 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.

Upstream synthesis route of [ 83635-12-5 ]
Downstream synthetic route of [ 83635-12-5 ]

[ 83635-12-5 ] Synthesis Path-Upstream 1~3

1
[ 139631-62-2 ]
[ 71-36-3 ]
[ 83635-12-5 ]

Yield	Reaction Conditions	Operation in experiment
77%	at 0 - 20℃;	[190] Step A: 1-Butyl cvclopropanesulfonateCyclopropanesulfonyl chloride (25g,178 mmol, leq) was dissolved in an excess of n-BuOH (80ml) and the reaction mixture was cooled at O⁰C, followed by the dropwise addition of pyridine (13.3ml, 160 mmol, 0.9eq). The mixture was slowly warmed to room temperature and stirred for 36 hours. The solvent was removed under reduced pressure and the resulting white solid was dissolved in chloroform. The organic phase was washed with water, brine and dried (MgSO₄) and then concentrated to give an oil (24.5g, 77percent).¹H NMR (400MHz, CDCl₃) δ 4.25 (t, J= 6.4Hz, 2H), 2.47 (heptet, 2H), 1.74 (quintet, 2H), 1.43 (sextet, 2H), 1.24 (m, 2H), 1.08 (m, 2H), 0.96 (t, J = 7.6Hz, 3H);
72%	With pyridine In dichloromethane at 0 - 25℃; for 16 h;	Cyclopropyl sulfonyl chloride (2 g, 14.2 mmol) was added drop-wise at 0° C. to a solution of Butylalcohol (2.1 g, 28.4 mmol) and Pyridine (2.35 g, 29.8 mmol) in DCM (20 mL) and continued stifling at 25° C. for 16 h. The reaction mixture was diluted with DCM (100 mL), washed with 1N aq.HCl solution followed by water and brine Organic layer collected was dried over anhydrous sodium sulphate and concentrated under reduced pressure to afford the Benzyl cyclopropanesulfonate (1.8 g, 72percent yield). ¹H NMR (300 MHz, CD₃OD) δ 4.3-4.1 (2H, t), 2.7-2.6 (1H, m), 1.8-1.6 (2H, m), 1.6-1.4 (2H, m), 1.2-1.1 (4H, m), 1.0-0.9 (3H, t) ppm.
71%	at -10 - 0℃;	Step A: Butyl cyclopropanesulfonate:Cyclopropanesulfonyl chloride (5 g, 35 mmole, 1 eq) was dissolved in an excess BuOH (20 ml), the reaction mixture was cooled at -10 ⁰C and pyridine (5.8 mL, 70 mmole, 2 eq) was slowly added dropwise. The mixture was slowly warmed at room temperature and stirred overnight. The solvent was removed under reduced pressure and the resulting white solid was dissolved in CHCl₃. The organic phase was washed with water, brine and dried (MgSO4) and concentrated to give an oil (4.8 g, 24.9 mmole, 71percent). ¹H NMR (300 MHz, CDCl₃): δ 4.25 (t, 2H), 2.46 (m, 1H), 1.74 (m, 2H), 1.45 (m, 2H), 1.25 (dd, 2H), 1.09 (dd, 2H), .93 (t, 3H).

71%

at -10 - 20℃;

Cyclopropanesulfonyl chloride (5 g, 35 mmol, 1 eq) was dissolved in an excess BuO l (20 ml), the reaction mixture was cooled at -10°C and pyridine (5.8 mL, 70 mmol, 2 eq) was slowly added dropwise. The mixture was slowly warmed at room temperature and stirred overnight. The solvent was removed under reduced pressure and the resulting white solid was dissolved in CHCI3. The organic phase was washed with water, brine and dried (MgS04) and concentrated to give an oil (4.8 g, 24.9 mmol, 71percent). i i NMR (300 MHz, CDCI3): δ 4.25 (t, 2H), 2.46 (m, 1H), 1.74 (m, 2H), 1.45 (m, 2H), 1.25 (dd, 2H), 1.09 (dd, 2H), .93 (t, 3H).

Reference： [1] Patent: WO2010/145197, 2010, A1, . Location in patent: Page/Page column 54-55
[2] Patent: US2015/368238, 2015, A1, . Location in patent: Paragraph 0632; 0633
[3] Patent: WO2007/14011, 2007, A2, . Location in patent: Page/Page column 51
[4] Patent: WO2013/178581, 2013, A1, . Location in patent: Page/Page column 39; 40

2
[ 139631-62-2 ]
[ 83635-12-5 ]

Reference： [1] Patent: US2012/136030, 2012, A1,

3
[ 83634-86-0 ]
[ 83635-12-5 ]

Reference： [1] Journal of the American Chemical Society, 1982, vol. 104, p. 7108

[ 83635-12-5 ] Synthesis Path-Downstream 1~11

1
[ 83635-12-5 ]
potassium cyclopropanesulfonate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1993,vol. 58,p. 1128 - 1135

2
3-(butoxysulfonyl)-N,N,N-trimethylpropanaminium fluorosulfate [ No CAS ]
[ 83635-12-5 ]

Reference： [1]Journal of the American Chemical Society,1982,vol. 104,p. 7108

3
1-butyl 3-chloro-1-propanesulfonate [ No CAS ]
[ 83635-12-5 ]

Yield	Reaction Conditions	Operation in experiment
78.22%	With n-butyllithium; In tetrahydrofuran; at -78 - 0℃;	Step B: 1 -Butyl cyclopropanesulfonate: EPO <DP n="50"/>Solutions of 1-butyl 3-chloro-l-propanesulfonate (4.6 g, 21.39 mmol in 25 ml THF) and of butyllithium (14.7 ml, 23.53 mmol, 1.6M, THF) were simultaneously added to THF (150 ml) at -78 0C under nitrogen atmosphere. The solution was allowed to warm to 0 °C and then quenched with water (2 ml). The volatiles evaporated under reduced pressure and the residue extracted with CH2Cl2 (150 ml). The extract was washed with water and dried (MgSO4) and evaporated to give crude desired product (3.23 g, 78.22percent) in almost pure form as pale yellow oil which was used for next step without further purification. 1H NMR (300 MHz, CDCl3) delta 0.94 (t, J = 7.5 Hz, 3H), 1.07 (m, 2H), 1.25 (m, 2H), 1.45(sextet, 2H), 1.74(quintet, 2H), 2.45 (heptet, 1H), 4.23 (t, J = 6.6 Hz, 2H).

Reference： [1]Journal of Organic Chemistry,1993,vol. 58,p. 1128 - 1135
[2]Patent: WO2007/14011,2007,A2 .Location in patent: Page/Page column 48; 49

4
[ 83634-86-0 ]
[ 83635-12-5 ]

Reference： [1]Journal of the American Chemical Society,1982,vol. 104,p. 7108

5
[ 139631-62-2 ]
[ 71-36-3 ]
[ 83635-12-5 ]

Yield	Reaction Conditions	Operation in experiment
77%	With pyridine; at 0 - 20℃;	[190] Step A: 1-Butyl cvclopropanesulfonateCyclopropanesulfonyl chloride (25g,178 mmol, leq) was dissolved in an excess of n-BuOH (80ml) and the reaction mixture was cooled at O0C, followed by the dropwise addition of pyridine (13.3ml, 160 mmol, 0.9eq). The mixture was slowly warmed to room temperature and stirred for 36 hours. The solvent was removed under reduced pressure and the resulting white solid was dissolved in chloroform. The organic phase was washed with water, brine and dried (MgSO4) and then concentrated to give an oil (24.5g, 77percent).1H NMR (400MHz, CDCl3) delta 4.25 (t, J= 6.4Hz, 2H), 2.47 (heptet, 2H), 1.74 (quintet, 2H), 1.43 (sextet, 2H), 1.24 (m, 2H), 1.08 (m, 2H), 0.96 (t, J = 7.6Hz, 3H);
72%	With pyridine; In dichloromethane; at 0 - 25℃; for 16h;	Cyclopropyl sulfonyl chloride (2 g, 14.2 mmol) was added drop-wise at 0° C. to a solution of Butylalcohol (2.1 g, 28.4 mmol) and Pyridine (2.35 g, 29.8 mmol) in DCM (20 mL) and continued stifling at 25° C. for 16 h. The reaction mixture was diluted with DCM (100 mL), washed with 1N aq.HCl solution followed by water and brine Organic layer collected was dried over anhydrous sodium sulphate and concentrated under reduced pressure to afford the Benzyl cyclopropanesulfonate (1.8 g, 72percent yield). 1H NMR (300 MHz, CD3OD) delta 4.3-4.1 (2H, t), 2.7-2.6 (1H, m), 1.8-1.6 (2H, m), 1.6-1.4 (2H, m), 1.2-1.1 (4H, m), 1.0-0.9 (3H, t) ppm.
71%	With pyridine; at -10 - 0℃;	Step A: Butyl cyclopropanesulfonate:Cyclopropanesulfonyl chloride (5 g, 35 mmole, 1 eq) was dissolved in an excess BuOH (20 ml), the reaction mixture was cooled at -10 0C and pyridine (5.8 mL, 70 mmole, 2 eq) was slowly added dropwise. The mixture was slowly warmed at room temperature and stirred overnight. The solvent was removed under reduced pressure and the resulting white solid was dissolved in CHCl3. The organic phase was washed with water, brine and dried (MgSO4) and concentrated to give an oil (4.8 g, 24.9 mmole, 71percent). 1H NMR (300 MHz, CDCl3): delta 4.25 (t, 2H), 2.46 (m, 1H), 1.74 (m, 2H), 1.45 (m, 2H), 1.25 (dd, 2H), 1.09 (dd, 2H), .93 (t, 3H).

71%

With pyridine; at -10 - 20℃;

Cyclopropanesulfonyl chloride (5 g, 35 mmol, 1 eq) was dissolved in an excess BuO l (20 ml), the reaction mixture was cooled at -10°C and pyridine (5.8 mL, 70 mmol, 2 eq) was slowly added dropwise. The mixture was slowly warmed at room temperature and stirred overnight. The solvent was removed under reduced pressure and the resulting white solid was dissolved in CHCI3. The organic phase was washed with water, brine and dried (MgS04) and concentrated to give an oil (4.8 g, 24.9 mmol, 71percent). i i NMR (300 MHz, CDCI3): delta 4.25 (t, 2H), 2.46 (m, 1H), 1.74 (m, 2H), 1.45 (m, 2H), 1.25 (dd, 2H), 1.09 (dd, 2H), .93 (t, 3H).

Reference： [1]Patent: WO2010/145197,2010,A1 .Location in patent: Page/Page column 54-55
[2]Patent: US2015/368238,2015,A1 .Location in patent: Paragraph 0632; 0633
[3]Patent: WO2007/14011,2007,A2 .Location in patent: Page/Page column 51
[4]Patent: WO2013/178581,2013,A1 .Location in patent: Page/Page column 39; 40

6
[ 556-56-9 ]
[ 83635-12-5 ]
[ 923032-56-8 ]

Yield	Reaction Conditions	Operation in experiment
69%	With n-butyllithium; In tetrahydrofuran; at -78 - 20℃; for 5h;	Step B: Butyl 1 -allylcyclopropane- 1 -sulfonate :To a solution of 1 -butyl cyclopropanesulfonate (4.8 g, 24.9 mmole) in THF at- 780C was added simultaneously butyllithium solution (15. 6 ml, 24.9 mmol, 1.6M, THF) and allyl iodide (24.9 mmole) under nitrogen atmosphere. The reaction mixture was stirred 2 hours at 780C and 3 hours at room tempoerature. The volatiles were evaporated under reduced EPO <DP n="53"/>pressure and the residue extracted with CH2Cl2 (100 ml). The extract was washed with water, dried (MgSO4) and evaporated. The residue was purified over silica gel chromatography (eluants: hexane/ CH2Cl2) to obtain the titled product (3.75 g, 69.0percent) as a colorless oil. 1H NMR (300 MHz, CDCl3): delta 5.6 (m, 1H), 5.13-5.08 (t, 2H), 4.21 (t, 2H), 2.65 (d, 2H), 1.7 (m, 2H), 1.4 (m, 4H), .93 (m, 5H).
69%	With n-butyllithium; In tetrahydrofuran; at -78 - 20℃; for 5h;Inert atmosphere;	To a solution of 1 -butyl cyclopropanesulfonate (4.8 g, 24.9 mmol) in Ti ll- at -78°C was added simultaneously butyllithium solution (15.6 ml, 24.9 mmol, 1.6M, THF) and allyl iodide (24.9 mmol) under nitrogen atmosphere. The reaction mixture was stirred 2 hours at -78°C and 3 hours at room temperature. The volatiles were evaporated under reduced pressure and the residue extracted with CH2CI2 (100 ml). The extract was washed with water, dried (MgSQt) and evaporated. The residue was purified over silica gel chromatography (eluants: hexane/ CH2CI2) to obtain the titled product (3.75 g, 69.0percent) as a colorless oil. I NMR (300 MHz, CDCI3): delta 5.6 (m, 1H), 5.13-5.08 (t, 2H), 4.21 (t, 2H), 2.65 (d, 2H), 1.7 (m, 2H), 1.4 (m, 4H), .93 (m, 5H).
68%		191] Step B: Butyl 1-allylcvclopropane-l -sulfonateTo a solution of 1 -butyl cyclopropanesulfonate (6Og, 337mmol ) in THF (500ml) at -780C was slowly added butyllithium (150ml, 2.5M in hexane, 404mmol) under a nitrogen atmosphere. After stirring 15 minutes, allyl iodide (31ml, 337mmol) in THF (100ml) was added. The reaction mixture was stirred for 2 hours at -780C and 30 minutes at room temperature. The volatiles were evaporated under reduced pressure and the residue extracted with dichloromethane. The extract was washed with water, dried (MgSO4) and evaporated. The residue was purified via column chromatography on silica gel (eluent: PE/EA=10:l) to obtain the titled compound (5Og, yield:68percent) as a colorless oil. 1H NMR (400MHz, CDCl3) delta 5.71-5.81 (m, IH), 5.09-5.14 (m, 2H), 4.22(t, J= 6.4Hz, 2H), 2.65 (d, J= 7.2Hz, 2H), 1.74 (m, 2H), 1.42 (m, 4H), 0.91 (m, 5H);

Reference： [1]Patent: WO2007/14011,2007,A2 .Location in patent: Page/Page column 51; 52
[2]Patent: WO2013/178581,2013,A1 .Location in patent: Page/Page column 40
[3]Patent: WO2010/145197,2010,A1 .Location in patent: Page/Page column 55

7
[ 139631-62-2 ]
[ 83635-12-5 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; In chloroform;	Step A:Butyl cyclopropanesulfonateCyclopropanesulfonyl chloride (5 g, 35 mmol, 1 eq) was dissolved in an excess BuOH (20 ml), the reaction mixture was cooled at -10° C. and pyridine (5.8 mL, 70 mmol, 2 eq) was slowly added dropwise.The mixture was slowly warmed at room temperature and stirred overnight.The solvent was removed under reduced pressure and the resulting white solid was dissolved in CHCl3.The organic phase was washed with water, brine and dried (MgSO4) and concentrated to give an oil (4.8 g, 24.9 mmol, 71percent). NMR (300 MHz, CDCl3): delta 4.25 (t, 2H), 2.46 (m, 1H), 1.74 (m, 2H), 1.45 (m, 2H), 1.25 (dd, 2H), 1.09 (dd, 2H), 0.93 (t, 3H).

Reference： [1]Patent: US2012/136030,2012,A1

8
[ 556-56-9 ]
[ 83635-12-5 ]
[ 923056-01-3 ]

Yield	Reaction Conditions	Operation in experiment
69.0%	In tetrahydrofuran;	Step B:Butyl. 1-allylcyclopropane-1-sulfonateTo a solution of <strong>[83635-12-5]1-butyl cyclopropanesulfonate</strong> (4.8 g, 24.9 mmol) in THF at -78° C. was added simultaneously butyllithium solution (15.6 ml, 24.9 mmol, 1.6M, THF) and allyl iodide (24.9 mmol) under nitrogen atmosphere.The reaction mixture was stirred 2 hours at -78° C. and 3 hours at room temperature.The volatiles were evaporated under reduced pressure and the residue extracted with CH2Cl (100 ml).The extract was washed with water, dried (MgSO4) and evaporated.The residue was purified over silica gel chromatography (eluants: hexane/CH2Cl2) to obtain the titled product (3.75 g, 69.0percent) as a colorless oil. 1H NMR (300 MHz, CDCl3): delta 5.6 (m, 1H), 5.13-5.08 (t, 2H), 4.21 (t, 2H), 2.65 (d, 2H), 1.7 (m, 2H), 1.4 (m, 4H), 0.93 (m, 5H).

Reference： [1]Patent: US2012/136030,2012,A1

9
[ 67843-74-7 ]
[ 83635-12-5 ]
[ 1335100-20-3 ]

Yield	Reaction Conditions	Operation in experiment
81.3%		Example 1 : General Procedure for the synthesis of substituted Butyl 1 -[2- hydroxypropyljcyclopropanesulfonates (GP1 ) :A solution of butyl cyclopropanesulfonate 2 (1 .2 g, 6.7 mmol) in THF (24 mL) was cooled to -78 C and n-butyllithium (1 .6M in n-hexane, 5.0 mL, 8.1 mmol) was added within 5 min. The mixture was stirred for 30 min and epoxypropane derivative 1 or 8 (8.1 mmol) was added followed by addition of boron tri fluoride diethyl etherate (0.84 mL, 6.7 mmol). The solution was stirred for 1 h at -78 C, the cooling bath was removed and stirring was continued for 2 additional hours. For aqueous work-up diluted hydrochloric acid (10percent, 0.8 mL), water (10 mL) and ethyl acetate (20 mL) were added. The organic layer was concentrated at 40 C to afford the corresponding butyl 1 -[2- hydroxypropyl]cyclopropanesulfonate 3.According to GP1 the following compounds were prepared : Example 1 a : Butyl 1 -[(2S)-3-chloro-2-hydroxypropyl]cyclopropanesulfonate(S)-3(S)-3 was obtained from (S)-epichlorohydrin (S)-1 in 81 .3percent yield.Rf: 0.19 (silica gel, n-hexane/ethyl acetate 3: 1 )MS (DCI): m/z = 288.0 [M+NH4]+(100), 271 [M+H]+(14)1H NMR (400 MHz, Chloroform-d) delta = 0.90 - 1 .04 (m, 4 H) 1 .1 5 - 1 .23 (m, 1 H) 1 .39 - 1 .57 (m, 4 H) 1 .67 - 1 .80 (m, 2 H) 1 .90 (dd, J=15.28, 8.68 Hz, 1 H) 2.15 (dd, J=15.41 , 3.67 Hz, 1 H) 2.5 - 3.0 (br. s, 2H) 3.51 - 3.73 (m, 2 H) 4.13 - 4.34 (m, 3 H) ppm

Reference： [1]Patent: WO2012/163799,2012,A1 .Location in patent: Page/Page column 71

10
[ 83635-12-5 ]
[ 1335100-26-9 ]

Reference： [1]Patent: WO2012/163799,2012,A1

11
[ 83635-12-5 ]
[ 74-88-4 ]
[ 923032-53-5 ]

Yield	Reaction Conditions	Operation in experiment
93%		n-BuLi (0.78 g, 12.25 mmol) was added drop-wise at ?78° C. to a solution of Butylcyclopropane sulfonate (2.0 g, 11.2 mmol) in THF (20 mL) and continued stirring at the same temperature for 10 min. CH3I (3.98 g, 28.0 mmol) was added at ?78° C., allowed the reaction to warm to 0° C. with stirring for 30 min. The reaction mixture was quenched with ice cold water, diluted with ethylacetate (100 mL), organic layer collected was dried over anhydrous sodium sulphate and concentrated under reduced pressure to afford the crude. The crude was purified by column chromatography (using silica gel and 4percent ethyl acetate in Hexane as eluent) to afford benzyl 1-methylcyclopropane-1-sulfonate (Int-48) (2.0 g, 93percent yield). 1H NMR (300 MHz, CD3OD) delta 4.2-4.1 (2H, t), 1.7-1.6 (2H, m), 1.4 (3H, s), 1.5-1.3 (2H, m), 1.3-1.2 (2H, m), 1.0-0.9 (2H, m), 0.9 (3H, t) ppm.

Reference： [1]Patent: US2015/368238,2015,A1 .Location in patent: Paragraph 0634; 0635

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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

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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. 83635-12-5 ] {[proInfo.proName]}

Quality Control of [ 83635-12-5 ]

Related Doc. of [ 83635-12-5 ]

Product Details of [ 83635-12-5 ]

Calculated chemistry of [ 83635-12-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 83635-12-5 ]

Application In Synthesis of [ 83635-12-5 ]

[ 83635-12-5 ] Synthesis Path-Upstream 1~3

[ 83635-12-5 ] Synthesis Path-Downstream 1~11

Related Functional Groups of [ 83635-12-5 ]

Aliphatic Cyclic Hydrocarbons

Sulfonates

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 83635-12-5 ]