4-Bromobutanenitrile

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Names

[ CAS No. ]:
5332-06-9

[ Name ]:
4-Bromobutanenitrile

[Synonym ]:
4-Bromobutanenitrile
USAF do-6
2-BROMO BUTYRO NITRILE
4-BROMOBUTYRONITRIL
4-bromobutanitrile
3-Cyanopropyl bromide
4-bromo-butanenitril
Trimethylene Bromocyanide
3-Bromopropyl cyanide
EINECS 226-236-6
4-BroMobutyronitrile
γ-Bromobutyronitrile
MFCD00001971
Butanenitrile, 4-bromo-
4-bromo-butyronitrile
4-BROMO BUTYRONITRILE

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
207.0±13.0 °C at 760 mmHg

[ Molecular Formula ]:
C4H6BrN

[ Molecular Weight ]:
148.001

[ Flash Point ]:
103.9±0.0 °C

[ Exact Mass ]:
146.968353

[ PSA ]:
23.79000

[ LogP ]:
0.85

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.470

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET8925000
CHEMICAL NAME :
Butyronitrile, 4-bromo-
CAS REGISTRY NUMBER :
5332-06-9
BEILSTEIN REFERENCE NO. :
0956577
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C4-H6-Br-N
MOLECULAR WEIGHT :
148.02
WISWESSER LINE NOTATION :
NC3E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H332

[ Precautionary Statements ]:
P280

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
UN 3276 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
ET8925000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,5-Diiodo-1,4-benzenediol
  • POTASSIUM CYANIDE
  • 1,3-Dibromopropane
  • 4-Chlorobutyronitrile
  • Sodium cyanide
  • 1-Bromo-3-chloropropane
  • Ethanol
  • 4-bromo-but-2-enenitrile
  • ethyl acetate

DownStream

  • α-Aminoadipic acid
  • Butanenitrile,4-(diethylamino)-
  • 6-Heptenenitrile
  • 4-[2-cyanoethyl(methyl)amino]butanenitrile
  • Butanenitrile, 4-azido-
  • Butanenitrile,4-(3-nitrophenoxy)-
  • 4-Phenylbutanenitrile
  • Benzophenone
  • Benzenepentanenitrile, d-oxo-
  • Benzoin

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

  • 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-chlorooxolan-3-ol,formic acid
  • 4,6-Pyrimidinedicarboxylic acid
  • 1-(4-Bromophenyl)-6-fluoro-1H-benzimidazol-2-amine
  • 2-(Ethanesulfonyl)-4-fluoroaniline
  • 3-Amino-1-(4-bromo-2,6-dimethylphenyl)piperidin-2-one
  • 1-(2,6-Dichloro-3-methylphenyl)guanidine
  • 5-Piperidin-1-yl-1,2,4-thiadiazol-3-amine
  • (5-Chloro-3-methyl-1-benzofuran-2-yl)methanamine
  • 1-[3-(3-Methylpyridin-4-yl)phenyl]ethan-1-one
  • 3-Methyl-4-(4-methylphenyl)piperidine
  • 5-Bromo-2-chloro-N-(pyrrolidin-3-yl)benzamide
  • 1-(3,5-Difluoro-2-hydroxyphenyl)butan-1-one
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