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628-20-6

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628-20-6 Structure

628-20-6 Structure

Identification	More
[Name] 4-Chlorobutyronitrile
[CAS] 628-20-6
[Synonyms] 4-CHLOROBUTANENITRILE 4-CHLOROBUTYRONITRILE GAMMA-CHLOROPROPYL CYANIDE 4-chloro-butanenitril 4-chloro-butyronitril Butyronitrile, 4-chloro- gamma-Chlorobutyronitrile 4-CHLOROBUTYRONITRILE 99% (GC) 4-Chlorobutyronitrile 98 % Butanenitrile, 4-chloro- 1-chloro-3-cyanopropane chlorobutyronitrile 4-Chlorobutyronitryle 4-CHLOROBUTYROONITRILE 4-CHLOROBUTYRONITRILE pure g-Chlorobutyronitrile 3-Chloropropyl cyanide
[EINECS(EC#)] 211-031-6
[Molecular Formula] C4H6ClN
[MDL Number] MFCD00001972
[Molecular Weight] 103.55
[MOL File] 628-20-6.mol

Chemical Properties	Back Directory
[Appearance] Clear Colourless Liquid
[Boiling point ] 195-197 °C (lit.)
[density ] 1.158 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.442(lit.)
[Fp ] 185 °F
[storage temp. ] Inert atmosphere,Room Temperature
[solubility ] Chloroform, Ethyl Acetate (Slightly)
[form ] Liquid
[color ] Clear colorless to pale yellow
[Specific Gravity] 1.158
[Water Solubility ] immiscible
[BRN ] 1633582
[InChI] 1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2
[InChIKey] ZFCFBWSVQWGOJJ-UHFFFAOYSA-N
[SMILES] ClCCCC#N
[CAS DataBase Reference] 628-20-6(CAS DataBase Reference)
[NIST Chemistry Reference] Butanenitrile, 4-chloro-(628-20-6)
[EPA Substance Registry System] 628-20-6(EPA Substance)

Safety Data	Back Directory
[Hazard Codes ] T,Xi
[Risk Statements ] R25:Toxic if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S7:Keep container tightly closed . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ] UN 3276 6.1/PG 3
[WGK Germany ] 3
[RTECS ] ET9020000
[Hazard Note ] Irritant
[TSCA ] Yes
[HazardClass ] 6.1
[PackingGroup ] III
[HS Code ] 29269095
[Storage Class] 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
[Hazard Classifications] Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Raw materials And Preparation Products	Back Directory
[Raw materials] POTASSIUM CYANIDE-->1-Bromo-3-chloropropane-->Sodium cyanide-->Ethanol
[Preparation Products] Cyclopropanecarboxylic acid-->4-Aminobutyric acid-->2-(3-BROMO-PROPYL)-1H-BENZOIMIDAZOLE-->4-(DIETHYLAMINO)BUTYLAMINE-->4-DIMETHYLAMINOBUTYLAMINE-->2-(Thien-2-yl)pyrrolidine-->5-PHENYL-3,4-DIHYDRO-2H-PYRROLE-->CarbaMiMidothioic acid, 3-cyanopropyl ester, hydrochloride (1:1)-->4-(Methylthio)butanenitrile-->4-aminobutyronitrile-->4-BROMOBUTYRONITRILE-->Methyl 3 - chloropropaniMidate hydrochloride-->Butanenitrile, 4-(methylamino)--->4-(N,N-DIBUTYLAMINO)-BUTYRONITRILE-->N-METHYL-N-(3-CYANOPROPYL)BENZYLAMINE

Hazard Information	Back Directory
[General Description] A liquid. Flash point 85°F. Density about 9.7 lb/gal and practically insoluble in water (2 parts/100 parts water). Hence sinks in water. Vapors are heavier than air. Irritates the eyes but not to the skin. Releases hydrogen chloride, hydrogen cyanide, and hydrogen bromide gases when heated or involved in a fire.
[Reactivity Profile] CHLOROBUTYRONITRILE(628-20-6) may attack some forms of plastics [USCG, 1999].
[Air & Water Reactions] Highly flammable. Practically insoluble in water.
[Health Hazard] Chemical is moderately toxic. Inhalation causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes causes irritation. Can penetrate the skin on prolonged contact; only slightly irritating.
[Fire Hazard] Special Hazards of Combustion Products: Toxic and irritating hydrogen cyanide, hydrogen bromide, and hydrogen chloride may form in fires.
[Chemical Properties] Clear Colourless Liquid
[Uses] 4-Chlorobutyronitrile (cas# 628-20-6) is a compound useful in organic synthesis.
[Production Methods] 4-Chlorobutyronitrile is readily obtained by reacting 1-bromo-3-chloropropane with sodium cyanide. It is used in the synthesis of the pharmaceuticals buflomedil and buspirone. 4-Chlorobutyronitrile also yields cyclopropanecarbonitrile upon cyclization with base.

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 4-Chlorobutyronitrile(628-20-6).msds

Spectrum Detail	Back Directory
[Spectrum Detail] 4-Chlorobutyronitrile(628-20-6)MS 4-Chlorobutyronitrile(628-20-6)¹HNMR 4-Chlorobutyronitrile(628-20-6)¹³CNMR 4-Chlorobutyronitrile(628-20-6)IR1 4-Chlorobutyronitrile(628-20-6)IR2 4-Chlorobutyronitrile(628-20-6)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 4-Chlorobutyronitrile, 97%(628-20-6)
[Alfa Aesar] 4-Chlorobutyronitrile, 97%(628-20-6)
[Sigma Aldrich] 628-20-6(sigmaaldrich)
[TCI AMERICA] 4-Chlorobutyronitrile,>97.0%(GC)(628-20-6)

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