4-Oxiran-2-ylbenzonitrile

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Names

[ CAS No. ]:
52695-39-3

[ Name ]:
4-Oxiran-2-ylbenzonitrile

[Synonym ]:
4-Oxiran-2-ylbenzonitrile

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
285.7ºC at 760mmHg

[ Molecular Formula ]:
C9H7NO

[ Molecular Weight ]:
145.15800

[ Flash Point ]:
120.1ºC

[ Exact Mass ]:
145.05300

[ PSA ]:
36.32000

[ LogP ]:
1.62958

[ Index of Refraction ]:
1.58

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4920000
CHEMICAL NAME :
Benzonitrile, 4-oxiranyl-
CAS REGISTRY NUMBER :
52695-39-3
BEILSTEIN REFERENCE NO. :
1307303
LAST UPDATED :
199803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H7-N-O
MOLECULAR WEIGHT :
145.17
WISWESSER LINE NOTATION :
T3OTJ BR DCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
11400 umol/L
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 30,1393,1982

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Bromo-4'-cyanoacetophenone
  • Trimethylsulfonium iodide
  • 4-Cyanobenzaldehyde
  • 4-CYANOSTYRENE
  • Trimethylsulfoxonium iodide
  • (±)-4-(2-bromo-1-hydroxyethyl)benzonitrile

DownStream

  • 4-CYANOSTYRENE
  • 4-(2S)-2-oxiranylbenzonitrile
  • 4-[(1R)-1,2-dihydroxyethyl]benzonitrile

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

  • 3-methyl-2-(methyloxy)-4-oxiran-2-ylbenzonitrile
  • 4-(oxiran-2-yl)butan-1-ol
  • 4-(oxiran-2-ylmethoxy)-1H-indole-2-carboxamide
  • [4-(oxiran-2-ylmethoxy)-1H-indol-2-yl]methanol
  • 4-(oxiran-2-yl)quinoline
  • 4-(oxiran-2-ylmethoxy)-4-oxobutanoate
  • 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
  • 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
  • 1-(4-chloro-3-methylphenyl)-5-(chloromethyl)-1H-pyrazole
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide