4-Chlorobutyronitrile

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Names

[ CAS No. ]:
628-20-6

[ Name ]:
4-Chlorobutyronitrile

[Synonym ]:
EINECS 211-031-6
4-Chlorobutanenitrile
Butanenitrile, 4-chloro-
MFCD00001972
γ-Chlorobutyronitrile
4-Chlorobutyroonitrile
4-Chlorbutanonitril

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
191.0±13.0 °C at 760 mmHg

[ Melting Point ]:
-44ºC

[ Molecular Formula ]:
C4H6ClN

[ Molecular Weight ]:
103.550

[ Flash Point ]:
85.0±0.0 °C

[ Exact Mass ]:
103.018875

[ PSA ]:
23.79000

[ LogP ]:
0.56

[ Vapour Pressure ]:
0.5±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.424

[ Water Solubility ]:
immiscible

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET9020000
CHEMICAL NAME :
Butyronitrile, 4-chloro-
CAS REGISTRY NUMBER :
628-20-6
BEILSTEIN REFERENCE NO. :
1633582
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C4-H6-Cl-N
MOLECULAR WEIGHT :
103.56
WISWESSER LINE NOTATION :
NC3G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
53380 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 55,47,1984

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R25;R36/37/38

[ Safety Phrases ]:
S45-S7-S36/37/39

[ RIDADR ]:
UN 3276 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
ET9020000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29269095

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Butanamide, 4-chloro-
  • 5-Chloropentanoic acid
  • 1-Bromo-3-chloropropane
  • POTASSIUM CYANIDE
  • BUTYRONITRILE
  • Butanamide, 4-hydroxy-
  • 2,4-dichlorobutanenitrile
  • N,N,N-Triethylethanaminium cyanide
  • Sodium cyanide
  • gamma-Butyrolactone

DownStream

  • 4-chloro-4'-methoxybutyrophenone
  • Ethyl 4-chlorobutanoate
  • Methyl 4-chlorobutanoate
  • 4-pyrrolidinylbutanenitrile
  • Butanenitrile,4-(diethylamino)-
  • 4-Chloro-1-oxo-1-phenylbutane
  • 4-[2-cyanoethyl(methyl)amino]butanenitrile
  • 5-(4-CHLORO-PHENYL)-3,4-DIHYDRO-2H-PYRROLE
  • Butanenitrile, 4-azido-
  • 4-Phenylbutanenitrile

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 2-phenyl-4-chlorobutyronitrile
  • 2-benzothiazolyl-3-keto-4-chlorobutyronitrile
  • 4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide
  • 4-(4-Chlorophenyl)-4-Bromopiperide
  • 4-(2-nitroimidazol-1-yl)butane-1,2-diol
  • 4-Iodo-1H-indazole-3-carboxylic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 3-chloro-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]-5-nitropyridine-2,6-diamine
  • (1S)-3-amino-1-(1-methyl-1H-imidazol-2-yl)propan-1-ol
  • Titanium hydroxide monohydrate
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde