Methyl .alpha.-cyanocinnamate

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Names

[ CAS No. ]:
3695-84-9

[ Name ]:
Methyl .alpha.-cyanocinnamate

[Synonym ]:
(E)-Methyl2-cyano-3-phenylacrylate
Methyl 2-cyano-3-phenylpropenoate
methyl benzylidenecyanoacetate
Methyl 3-phenyl-2-cyanopropenoate
2-cyano-3-phenylacrylic acid methyl ester
benzylidenecyanoacetic acid methyl ester
Benzylidencyanessigsaeuremethylester
methyl 2-cyano-3-phenylacrylate
Methyl 2-cyano-3-phenyl-2-propenoic acid
Methyl benzalcyanoacetate

Chemical & Physical Properties

[ Density]:
1.169g/cm3

[ Boiling Point ]:
317.8ºC at 760 mmHg

[ Molecular Formula ]:
C11H9NO2

[ Molecular Weight ]:
187.19500

[ Flash Point ]:
148.6ºC

[ Exact Mass ]:
187.06300

[ PSA ]:
50.09000

[ LogP ]:
1.76658

[ Index of Refraction ]:
1.575

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GD8568000
CHEMICAL NAME :
Cinnamic acid, alpha-cyano-, methyl ester
CAS REGISTRY NUMBER :
3695-84-9
LAST UPDATED :
199409
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H9-N-O2
MOLECULAR WEIGHT :
187.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,1325,1965

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzaldehyde
  • Methyl cyanoacetate
  • Benzaldehyde dimethyl acetal
  • 2,2-dinitroethenylbenzene
  • Methanol
  • 2-Propenoic acid,2-cyano-3-phenyl-
  • methyl iodide

DownStream

  • (R)-3-AMINO-2-BENZYLPROPANOIC ACID
  • (S)-3-amino-2-benzylpropanoic acid
  • methyl 2,3-dicyano-3-phenyl-propanoate
  • methyl 4-phenyl-5-trimethylsilyl-1H-pyrazole-3-carboxylate
  • 2-Chloro-3-phenylpropenenitrile

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

  • Nitrone, N-methyl-.alpha.,.alpha.-diphenyl-
  • BENZENEACETALDEHYDE, 4-METHYL-.ALPHA.-OXO-
  • BENZENEACETALDEHYDE, 4-METHYL-.ALPHA.-METHYLENE-
  • BENZENEMETHANOL, 3-METHYL-.ALPHA.-(TRICHLOROMETHYL)-
  • BENZENEMETHANOL, 4-METHYL-.ALPHA.-(TRICHLOROMETHYL)-
  • BENZENEBUTANOIC ACID, 3-METHYL-.ALPHA.,.GAMMA.-DIOXO-, ETHYL ESTER