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ChemicalBook--->CAS DataBase List--->542-76-7

542-76-7

542-76-7 Structure

542-76-7 Structure
IdentificationMore
[Name]

3-Chloropropiononitrile
[CAS]

542-76-7
[Synonyms]

3-CHLOROPROPIONIC ACID NITRILE
3-CHLOROPROPIONITRILE
3-CHLOROPROPIONONITRILE
BETA-CHLOROPROPIONITRILE
β-Chloropropionitrile
1-Chloro-2-cyanoethane
3-chloro-propanenitril
3-Chloropropanenitrile
3-chloro-Propanenitrile
3-Chloropropanenitrile-Chloroethylcyanide
3-Chloropropanonitrile
3-chloro-propionitril
3-Chloropropuinitrile
3-Chlorpropannitril
CH2ClCH2CN
Propanenitrile, 3-chloro-
Propionitrile, 3-chloro-
propionitrile,3-chloro-
Rcra waste number P027
rcrawastenumberp027
[EINECS(EC#)]

208-827-0
[Molecular Formula]

C3H4ClN
[MDL Number]

MFCD00001952
[Molecular Weight]

89.52
[MOL File]

542-76-7.mol
Chemical PropertiesBack Directory
[Appearance]

3-Chloropropionitrile is a combustible, colorless liquid with an acrid odor
[Melting point ]

-52--50 °C (lit.)
[Boiling point ]

174-176 °C (lit.)
[density ]

1.144 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.438(lit.)
[Fp ]

168 °F
[storage temp. ]

Store below +30°C.
[solubility ]

45g/l
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Water Solubility ]

4.50 g/100 mL
[Merck ]

14,2160
[BRN ]

1098454
[CAS DataBase Reference]

542-76-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Cl(CH2)2CN(542-76-7)
[EPA Substance Registry System]

542-76-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

R23:Toxic by inhalation.
R28:Very Toxic if swallowed.
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3276 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

UG1400000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29269095
[Hazardous Substances Data]

542-76-7(Hazardous Substances Data)
[Toxicity]

LD50 orally in mice, rats: 9, 100 mg/kg, Fassett in Industrial Hygiene and Toxicology vol. 2, F. A. Patty, Ed. (Interscience, New York, 2nd ed., 1962) pp 2025-2026
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acrylonitrile
[Preparation Products]

5,6-dihydro-2-nitro-7H-Pyrrolo[1,2-a]iMidazol-7-one-->3-(1-PYRROLIDINO)PROPIONITRILE-->Methyl 3-chloropropaniMidate hydrochloride-->3-(4-MORPHOLINO)PROPIONITRILE-->N-Sulphamyl-3-chloropropionamidine hydrochloride-->5-(2-Chloroethyl)tetrazole-->ethyl 3-chloropropanimidoate hydrochloride-->3-(2,4-dibromophenoxy)propanoic acid
Hazard InformationBack Directory
[General Description]

Colorless liquid with a characteristic acrid odor. Used in pharmaceutical and polymer synthesis.
[Reactivity Profile]

Toxic gas (hydrogen chloride) is released when the compound is heated above 266 F. When heated to decomposition, PROPIONITRILE, 3-CHLORO-emits very toxic fumes of chlorine-containing compounds and nitrogen oxides. Avoid heat. [EPA, 1998].
[Hazard]

Toxic by ingestion, inhalation, and skin contact. Combustible.
[Health Hazard]

Toxic effects are a result of systemic cyanide poisoning. (Non-Specific--Cyanide) Few poisons are more rapidly lethal. Average oral lethal dose for hydrogen cyanide is approximately 60-90 mg (corresponds to 200 mg of potassium cyanide). Cause of death is lack of oxygen to the body's cells (especially the brain and heart) as a result of the chemical inhibiting cell enzymes.
[Potential Exposure]

This material is used in pharmaceutical manufacture and in polymer synthesis.
[Fire Hazard]

Toxic gas (hydrogen chloride) is released when the compound is heated above 266F. When heated to decomposition, PROPIONITRILE, 3-CHLORO-emits very toxic fumes of chlorine-containing compounds and nitrogen oxides. Avoid heat.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a Medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Use amyl nitrate capsules if symptoms develop. All area employees should be trained regularly in emergency measures for cyanide poisoning and in CPR. A cyanide antidote kit should be kept in the immediate work area and must be rapidly available. Kit ingredients should be replaced every 12 years to ensure freshness. Persons trained in the use of this kit; oxygen use, and CPR must be quickly available.
[Shipping]

UN3276 Nitriles, liquid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required, Potential Inhalation Hazard (Special Provision 5).
[Incompatibilities]

Contact with strong oxidizers may cause a fire and explosion hazard
[Description]

3-Chloropropionitrile is a combustible, colorless liquid with an acrid odor. Molecular weight =89.53;Boiling point=175-176℃ (decomposes); Flashpoint =76℃. Hazard Identification (based on NFPA-704 MRating System): Flammability 2, Reactivity 1
[Chemical Properties]

3-Chloropropionitrile is a combustible, colorless liquid with an acrid odor
[Uses]

In pharmaceutical and polymer synthesis. Combines the reactivity of a nitrile and an alkyl halide. Because of the cyano group the chlorine atom is more reactive than in ordinary alkyl halides.
[Production Methods]

3-Chloropropionitrile [542-76-7], 3-chloropropanenitrile, b-chloropropionitrile, ClCH2 CH2CN, Mr 89.53, mp-51℃, bp 175 –176℃ (101.3 kPa), n20D 1.4360, d204 1.1573, is a colorless liquid miscible with acetone, benzene, ethanol and diethyl ether. It can be obtained by hydrochlorination of acrylonitrile with hydrochloric acid [49] and is used as an organic intermediate in the synthesis of the H2-receptor famotidine.
[storage]

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with thischemical you should be trained on its proper handling andstorage. Before entering confined space where 3-chloropropionitrile may be present, check to make sure that an explosive concentration does not exist. Store in tightly closedcontainers in a cool, well-ventilated area. Metal containersinvolving the transfer of this chemical should be groundedand bonded. Where possible, automatically pump liquidfrom drums or other storage containers to process containers. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use onlynonsparking tools and equipment, especially when openingand closing containers of this chemical. Sources of ignition,such as smoking and open flames, are prohibited where thischemical is used, handled, or stored in a manner that couldcreate a potential fire or explosion hazard.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Chloropropiononitrile(542-76-7).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chloropropiononitrile(542-76-7)MS
3-Chloropropiononitrile(542-76-7)1HNMR
3-Chloropropiononitrile(542-76-7)13CNMR
3-Chloropropiononitrile(542-76-7)IR1
3-Chloropropiononitrile(542-76-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Chloropropionitrile, 98%(542-76-7)
[Sigma Aldrich]

542-76-7(sigmaaldrich)
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