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
N-benzyl-N-[(3-hydroxyazetidin-3-yl)methyl]-4-nitrobenzene-1-sulfonamide
4-nitro-N-[4-(piperidin-4-yl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
1-[2-(4-Nitrobenzenesulfonyl)-2-azabicyclo[2.2.2]octan-1-yl]methanamine
2'-(4-nitrobenzenesulfonyl)-3',4'-dihydro-2'H-spiro[piperidine-3,1'-pyrrolo[1,2-a]pyrazine]
4-nitro-N-[(1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]benzene-1-sulfonamide
4-nitro-N-{5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-yl}benzene-1-sulfonamide
rac-N-[(1R,2S)-2-aminocyclopropyl]-4-nitrobenzene-1-sulfonamide
2-amino-3-hydroxy-S-(4-nitrophenyl)propane-1-sulfonamido
rac-(2R,3S)-2-[1-(4-nitrobenzenesulfonyl)piperidin-4-yl]oxolan-3-amine
4-nitro-N-[(1,4-oxazepan-2-yl)methyl]benzene-1-sulfonamide

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