3-(2-Chlorophenyl)-3-oxopropanenitrile

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Names

[ CAS No. ]:
40018-25-5

[ Name ]:
3-(2-Chlorophenyl)-3-oxopropanenitrile

[Synonym ]:
Benzenepropanenitrile, 2-chloro-β-oxo-
NC1VR BG
(2-Chlorobenzoyl)acetonitrile
2-Chloro-β-oxobenzenepropanenitrile
3-(2-Chlorophenyl)-3-oxopropanenitrile
2'-Chloro-2-cyanoacetophenone
MFCD00051624

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
302.2±22.0 °C at 760 mmHg

[ Melting Point ]:
55-59 °C

[ Molecular Formula ]:
C9H6ClNO

[ Molecular Weight ]:
179.603

[ Flash Point ]:
136.6±22.3 °C

[ Exact Mass ]:
179.013794

[ PSA ]:
40.86000

[ LogP ]:
1.39

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.553

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S36/37/39-S26-S22

[ RIDADR ]:
3276

[ Packaging Group ]:
III

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Chlorobenzoyl chloride
  • Cyanoacetic acid
  • Methyl 2-chlorobenzoate
  • Acetonitrile
  • 2-Chlorobenzyl alcohol
  • 2-Chloro-alpha-Oxo-Benzeneacetonitrile
  • Bromoacetonitrile
  • 2-Chlorobenzonitrile
  • β-amino-2-chloro-cinnamonitrile
  • Sodium cyanide

DownStream

  • (2-AMINO-5-ETHYLTHIOPHEN-3-YL)(2-CHLOROPHENYL)METHANONE
  • 2-Amino-3-(2-chlorobenzoyl)thiophene
  • Ketone 2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl o-chlorophenyl
  • 3-(2-CHLOROPHENYL)-5(4H)-ISOXAZOLONE
  • 3-(2-Chlorophenyl)-1,2-oxazol-5-amine
  • tert-butyl N-[3-(2-chlorobenzoyl)thiophen-2-yl]carbamate
  • 2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene
  • 7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one
  • 2-Bromoacetylamino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene
  • 4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic Acid Methyl Ester

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-Amino-3-(2-chlorophenyl)-3-oxopropanenitrile
  • 3-(2-chlorophenyl)-2-hydroxyimino-3-oxopropanenitrile
  • 3-(2-chlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
  • 3-(2-Chlorophenyl)-3-cyanopropenamide
  • 1-[3-(2-chlorophenyl)-3-(4-chlorophenyl)oxiran-2-yl]imidazole,hydrochloride
  • 1-[3-(2-chlorophenyl)-3-(3-methoxyphenyl)oxiran-2-yl]imidazole,nitric acid