[ CAS No. 76-83-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

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

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

2D 3D

Structure of 76-83-5 * Storage: {[proInfo.prStorage]}

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

Please Login or Create an Account to: See VIP prices and availability

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

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 76-83-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 76-83-5 ]

SDS Specification

Alternatived Products of [ 76-83-5 ]

Product Details of [ 76-83-5 ]

CAS No. :	76-83-5	MDL No. :	MFCD00000813
Formula :	C₁₉H₁₅Cl	Boiling Point :	-
Linear Structure Formula :	CCl(C₆H₅)₃	InChI Key :	JBWKIWSBJXDJDT-UHFFFAOYSA-N
M.W :	278.77	Pubchem ID :	6456
Synonyms :

Calculated chemistry of [ 76-83-5 ] Expand+

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.05
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	85.06
TPSA :	0.0 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.27 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.21
Log Po/w (XLOGP3) :	5.25
Log Po/w (WLOGP) :	5.11
Log Po/w (MLOGP) :	5.62
Log Po/w (SILICOS-IT) :	5.53
Consensus Log Po/w :	4.94

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.34
Solubility :	0.00126 mg/ml ; 0.00000453 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.0
Solubility :	0.00279 mg/ml ; 0.00001 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.09
Solubility :	0.00000225 mg/ml ; 0.0000000081 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.27

Safety of [ 76-83-5 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310-P405-P501	UN#:	3261
Hazard Statements:	H314	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 76-83-5 ]

* 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 [ 76-83-5 ]
Downstream synthetic route of [ 76-83-5 ]

[ 76-83-5 ] Synthesis Path-Upstream 1~3

1
[ 2302-25-2 ]
[ 76-83-5 ]
[ 87941-55-7 ]

Yield	Reaction Conditions	Operation in experiment
72%	With triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 1 h;	To a single-necked flask was added 4-bromoimidazole (30 g, 205 mmol)Dichloromethane: tetrahydrofuran = 1: 1,And triphenylchloromethane (62 g, 226 mmol)Triethylamine (29 ml) was added with stirring at room temperature,Continue stirring for 1 h, add water and 1N hydrochloric acid,Adding methylene chloride extraction,The organic layers were combined and dried over anhydrous sodium sulfate,Spin dry dichloromethane to give compound 7 (61g, 72percent yield).

Reference： [1] Journal of Medicinal Chemistry, 2010, vol. 53, # 4, p. 1712 - 1725
[2] Patent: CN106256830, 2016, A, . Location in patent: Paragraph 0044; 0045; 0055; 0056; 0057

2
[ 2302-25-2 ]
[ 76-83-5 ]
[ 76-84-6 ]
[ 87941-55-7 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989, p. 95 - 99

3
[ 76-83-5 ]
[ 123-08-0 ]
[ 892112-24-2 ]

Yield	Reaction Conditions	Operation in experiment
75%	With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 6 h;	General procedure: The 4-hydroxybenzaldehyde 4 (0.8 g, 6.5 mmol) was reacted with 4-monometoxytriphenylmethyl (1.0 g, 3.2 mmol) in 10 mL of anhydrous DCM in the presence of DIEA (2.2 mL, 12.9 mmol). After 6 h at r.t., the reaction was quenched by dilution with DCM (100 mL), and the organic phase was washed three times with a solution of 0.1 M NaOH (3×100 mL). The organic phase was dried with MgSO₄, and then the solvent was removed under vacuum. The crude material was then purified on a column of silica gel (70 g) suspended in hexane/EtOAc 70:30 (v/v) with 1percent of TEA, leading to product 5 (1.05 g, 82percent). ¹H NMR (400 MHz, 25°C, δ, ppm in CDCl₃): δ 9.76 (s, 1H), 7.57–7.25 (complex signals, 14H), 6.86 (d, J=8.5 Hz, 2H), 6.82 (d, J=8.0 Hz, 2H), 3.77 (s, 3H). ¹³C NMR (100 MHz, 25°C, δ, ppm in CDCl₃): δ 190.7, 161.9, 158.7, 143.8, 134.9, 130.6, 130.2, 128.3, 127.8, 127.3, 120.3, 113.1, 91.1, 55.0. Product 5 (1.05 g, 2.66 mmol) was subsequently treated with 0.25 g of NaBH₄ (6.60 mmol) in THF (10 mL) for 6 h at r.t. The mixture was diluted with DCM (3×100 mL), and the organic phase was washed three times with water (100 mL). The organic phase was dried with MgSO₄, and then the solvent was removed under vacuum. The crude solid thus obtained was purified on a column of silica gel (70 g) suspended in hexane/EtOAc 60:40 (v/v) with 1percent of TEA. From the column was recovered 0.845 g of clean desired product 6 (2.13 mmol, 80percent). ¹H NMR (400 MHz, 25°C, δ, ppm in CDCl₃): δ 7.49 (d, J=6.0 Hz, 4H), 7.37–7.22 (complex signals, 8H), 6.98 (d, J=7.2 Hz, 2H), 6.79 (d, J=7.2 Hz, 2H), 6.70 (d, J=6.8 Hz, 2H), 4.45 (s, 2H), 3.75 (s, 3H). ¹³C NMR (100 MHz, 25°C, δ, ppm in CDCl₃): δ 158.4, 155.8, 144.5, 135.6, 133.3, 130.4, 128.6, 127.6, 127.4, 126.9, 120.6, 112.8, 90.0, 64.8, 55.0. Then, 0.40 g (1.01 mmol) of product 6 was reacted with N,N-diisopropyldichlorophosphoramidite (124 μL, 0.67 mmol) in the presence of DIEA (348 μL, 2.68 mmol) in DCM (7 mL). After 1.5 h, the reaction was quenched by dilution with DCM, and the organic phase was washed three times with cold water. The organic phase was dried with MgSO₄ and the solvent removed under vacuum. The material was purified with column chromatography of silica gel in hexane/EtOAc 85:15 (v/v) with 2percent of TEA. From the column was recovered 0.74 g of clean desired product (1, 87percent).

Reference： [1] Journal of Medicinal Chemistry, 2006, vol. 49, # 10, p. 2979 - 2988
[2] Tetrahedron Letters, 2017, vol. 58, # 12, p. 1227 - 1229

[ 76-83-5 ] Synthesis Path-Downstream 1~8

1
[ 7768-28-7 ]
[ 76-83-5 ]
1-Trityloxy-2-(2-trityloxy-ethyl)-benzene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2000,vol. 65,p. 263 - 265

2
[ 76-83-5 ]
[ 1072-84-0 ]
[ 191103-80-7 ]

Yield	Reaction Conditions	Operation in experiment
99.7%	With pyridine; In N,N-dimethyl-formamide; at 50℃; for 6h;	1H-<strong>[1072-84-0]imidazole-4-carboxylic acid</strong>(5.0 g, 44.6 mmol) and triphenylchloromethane (13.8 g, 49.1 mmol)It was added to a mixture of 50 ml of DMF and 2.5 ml of pyridine. After the addition, the temperature is raised to 50 ° C for 6 h.The reaction was detected by HPLC. Post-treatment: The system is cooled, and the reaction system is slowly added to 100 ml of water.The gray solid precipitated, and the suspension was stirred for 1 hour and then filtered.The filter cake was washed with a small amount of water, dried for 30 min, and dried under vacuum at 50 ° C to obtain 15.8 g of a gray solid.Yield: 99.7percent.
95%	With pyridine; In N,N-dimethyl-formamide; at 20℃;	1-(Triphenylmethyl)-1H-<strong>[1072-84-0]imidazole-4-carboxylic acid</strong> was prepared as described in J. Med. Chem. 2001, 44, 1268. 1 H-lmidazole-4-carboxylic acid (0.50 g, 4.5 mmol) and trityl chloride (1.35 g, 4.9 mmol) were added to a solution of DMF (30 ml.) and pyridine (15 ml.) and stirred overnight. Water and EtOAc were added. The layers were separated and the aqueous layer extracted with EtOAc (2 x 50 ml_). The organic extracts were combined, washed with water and brine, dried over Na2SO4, filtered and evaporated. The oil was triturated with EtOAc to afford the title compound (1.5 g, 95percent) as a white solid. 1H NMR (400 MHz, DMSO-d6): delta ppm 12.40 (br. s., 1 H), 7.42 (t, 9 H), 7.17 - 7.35 (m, 2 H), 7.10 (d, 6 H). MS: m/z 1 11 (M-243).
79%	With pyridine; In N,N-dimethyl-formamide; at 20℃;	Example 6; To a RT solution of 1H-<strong>[1072-84-0]imidazole-4-carboxylic acid</strong> (1.12 g, 9.99 mmol) in pyridine (15 mL) and DMF (30 mL) was added triphenylmethyl chloride (3.06 g, 11.0 mmol). The reaction mixture was stirred at RT overnight, then was partitioned between EtOAc (500 mL) and H2O (50 mL). The organic phase was washed with H2O (20 mL), 10percent citric acid (20 mL) and brine (5 mL), dried (MgSO4) and concentrated in vacuo. The residue was triturated with EtOAc to afford 1-trityl-1H-<strong>[1072-84-0]imidazole-4-carboxylic acid</strong> (2.78 g, 79percent yield) as a white solid. LCMS Method A (ESI, positive ion spectrum): (M+H)/z=not observed, tR=3.27 min.

Reference： [1]Patent: CN108314654,2018,A .Location in patent: Paragraph 0094-0096
[2]Journal of Medicinal Chemistry,2012,vol. 55,p. 10601 - 10609
[3]Patent: WO2008/154271,2008,A1 .Location in patent: Page/Page column 105
[4]Patent: US2009/30046,2009,A1 .Location in patent: Page/Page column 21
[5]Journal of Medicinal Chemistry,2001,vol. 44,p. 1268 - 1285

3
[ 39746-00-4 ]
[ 76-83-5 ]
[ 101208-17-7 ]

Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 6689 - 6693

4
[ 76-83-5 ]
[ 114676-59-4 ]
[ 536746-99-3 ]

Yield	Reaction Conditions	Operation in experiment
50%	With triethylamine; In tetrahydrofuran; chloroform; at 23℃; for 3.25h;	To a suspension of 4R-hydroxypyrrolidine-2R-carboxylic acid methyl ester hydrochloride salt (7.94 g, 38. 2 mmol, 1 eq.; Product from Step 1 of Example 90) in [CHC13] (100 mL) at 23 [°C] was added Et3N (16.0 mL, 115 mmol, 3 eq. ) followed by trityl chloride (11.2 g, 40.1 mmol, 1.05 eq. ). After 15 min THF (15 mL) was added. The resulting mixture was stirred for 3 h, then partitioned between H20 (300 mL) and Et2O (400 mL). The layers were separated and the organic layer washed with 1.0 N [HC1] (300 mL), brine (200 mL), dried MgS04 and concentrated in vacuo. The product was purified via flash column chromatography on silica gel (40percent [ETOACHEXANES] as eluent) to give [4R-HYDROXY-1-TRITYLPYRROLIDINE-2R-CARBOXYLIC] acid methyl ester (7.37 g, 19.0 mmol, 50percent yield).

Reference： [1]Patent: WO2004/7444,2004,A2 .Location in patent: Page 140
[2]Organic Letters,2011,vol. 13,p. 4442 - 4445

5
[ 33543-78-1 ]
[ 76-83-5 ]
[ 67478-49-3 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; dmap; at 100℃; for 22h;	First step The compound (85) (2.50 g) was dissolved in pyridine (25 ml), trityl chloride (5.47 g) and dimethylaminopyridine (2.40 g) were added, the mixture was stirred at 100°C for 22 hours. Water was added, the mixture was extracted with ethyl acetate, the organic layer was dried over anhydrous sodium sulfate, and the solvent was evaporated under reduced pressure. The residue was subjected to silica gel column chromatography to afford the compound (86) (2.81 g). 1H-NMR (CDCl3), delta: 0.94 (3H, t, J = 7.1 Hz), 3.82 (2H, q, J = 7.1 Hz), 6.97 (1H, d, J = 1.0 Hz), 7.12 (7H, m), 7.28-7.30 (9H, m).

Reference： [1]Patent: EP2305672,2011,A1 .Location in patent: Page/Page column 74

6
[ 76-83-5 ]
[ 35344-95-7 ]
[ 218594-00-4 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In dichloromethane; at 20℃; for 1h;	[007101 Compound 80 was prepared in 4 steps from 1 H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> according to the following procedures: <strong>[35344-95-7]1H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong></strong> (2.1 mmol, 1.0 equiv) was dissolved in 20 mL methylene chloride followed by the addition of triethylamine (3.0 equiv) and trityl chloride (1.0 equiv). The reaction was stirred at RT for lh after it was quenched with water (lmL) and extrated with methylene chloride. The organic layers were concentrated and purified using flash silica gel chromatography (gradient 0-30percent methanol/methylene chloride with 0.5percent triethylamine). 1-Trity -]H-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> was then converted to it?s corresponding alkyne using Method J after which it was coupled to compound B using the analogous coupling conditions in Example 1. The resulting compound was then deprotected under standard triflouroacetic acid in methylene chloride deprotection conditions after which it was concentrated and purified using flash silica gel chromatography (ISCO, gradient 0-5percent methanol/methylene chroride with 0.05percent triethylamine and then repurified using reverse-phase HPLC (Interchim Cl 8-Sunfire column, gradient of acetonitrile/water with 0.01percent formic acid) to provide compound 80. ESI-MS m/z: 515.0 [M+H]b.
	With triethylamine; In dichloromethane; at 20℃; for 1h;	[001366] Compound 80 was prepared in 4 steps from lH-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> according to the following procedures: lH-<strong>[35344-95-7]pyrazole-4-carbaldehyde</strong> (2.1 mmol, 1.0 equiv) was dissolved in 20 mL methylene chloride followed by the addition of triethylamine (3.0 equiv) and trityl chloride (1.0 equiv). The reaction was stirred at RT for lh after it was quenched with water (ImL) and extrated with methylene chloride. The organic layers were concentrated and purified using flash silica gel chromatography (gradient 0-30percent methanol/methylene chloride with 0.5percent triethylamine). 1-Trity -/H-pyrazole-4- carbaldehyde was then converted to it's corresponding alkyne using Method J after which it was coupled to compound B using the analogous coupling conditions in Example 1. The resulting compound was then deprotected under standard triflouroacetic acid in methylene chloride deprotection conditions after which it was concentrated and purified using flash silica gel chromatography (ISCO, gradient 0-5percent methanol/methylene chroride with 0.05percent triethylamine and then repurified using reverse-phase HPLC (Interchim C18-Sunfire column, gradient of acetonitrile/water with 0.01percent formic acid) to provide compound 80. ESI-MS m/z: 515.0 [M+H]+.

Reference： [1]Patent: WO2015/51244,2015,A1 .Location in patent: Paragraph 00710
[2]Patent: WO2015/143012,2015,A1 .Location in patent: Paragraph 001366

7
[ 623-57-4 ]
[ 76-83-5 ]
[ 172506-36-4 ]

Yield	Reaction Conditions	Operation in experiment
4 g	In pyridine; for 0.5h;Reflux;	[0234] A mixture of <strong>[623-57-4]3-(dimethylamino)-1,2-propanediol</strong> (3.0 g, 25 mmol) and triphenylmethyl chloride (7.75 g, 27.8mmol) in dry pyridine (100 mL) was refluxed for 30 min. Upon cooling, most of the solvent was evaporated in vacuo,and the resulting residual was re-dissolved in 400 mL of dichloromethane. The organic phase was washed with water(3 x 200 mL), brine (150 mL), and dried over anhydrous Na2SO4. Evaporation of the solvent gave 6.3 g of yellow oil asa crude product. The crude product was purified by column chromatography on silica gel (230-400 mesh, 500 mL) elutedwith 0-10percent methanol gradient in dichloromethane. This afforded 4.0 g of the product (DMAP-Tr) as yellow oil.

Reference： [1]Patent: EP2224912,2016,B1 .Location in patent: Paragraph 0233-0234

8
[ 492-30-8 ]
[ 76-83-5 ]
[ 157666-05-2 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine;Cooling with ice;	2-C-methyl-D-ribono-gamma-lactone 1 (1.62 g, 10.0 mmol) was suspended in pyridine (10 mL) followed by the addition of triphenylchloromethane (2.06 g, 11 mmol) under ice bath. After the reaction was completed, the solvent was removed under reduced pressure and the residue was purified by silica-gel column chromatography (PE/EtOAc = 50/1) to give the Trt-protecting intermediate. This intermediate (400 mg, 1 mmol) was dissolved in dichloromethane (4 mL). To the solution, benzoic anhydride (226 mg, 1 mmol), triethylamine (0.2 mL, 2 mmol) and 4-dimethylaminopyridine (20 mg) were successively added under ice bath. After stirring for 3h at room temperature, the solvent was removed under reduced pressure and the residue was purified by silica-gel column chromatography to afford 2j as a white solid.

Reference： [1]Tetrahedron Letters,2018,vol. 59,p. 1473 - 1475

Recommend Products

Same Skeleton Products

Related Products

Isomers

Technical Information

• Alkyl Halide Occurrence • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

Historical Records

Related Functional Groups of
[ 76-83-5 ]

Chlorides

[ 23429-44-9 ]

(Chloro(p-tolyl)methylene)dibenzene

Similarity: 1.00

[ 779-14-6 ]

1-(Chloro(phenyl)methyl)-4-methylbenzene

Similarity: 0.89

[ 90-99-3 ]

Benzhydryl Chloride

Similarity: 0.89

[ 2051-18-5 ]

1-(Chloromethyl)-4-isopropylbenzene

Similarity: 0.85

[ 672-65-1 ]

(1-Chloroethyl)benzene

Similarity: 0.85

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

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. 76-83-5 ] {[proInfo.proName]}

Quality Control of [ 76-83-5 ]

Related Doc. of [ 76-83-5 ]

Product Details of [ 76-83-5 ]

Calculated chemistry of [ 76-83-5 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 76-83-5 ]

Application In Synthesis of [ 76-83-5 ]

[ 76-83-5 ] Synthesis Path-Upstream 1~3

[ 76-83-5 ] Synthesis Path-Downstream 1~8

Technical Information

Related Functional Groups of [ 76-83-5 ]

Chlorides

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 76-83-5 ]