Methyl 4-(cyanomethyl)benzoate

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Names

[ CAS No. ]:
76469-88-0

[ Name ]:
Methyl 4-(cyanomethyl)benzoate

[Synonym ]:
Methyl |A-Cyano-p-toluate
Methyl 4-(Cyanomethyl) Benzoate
Methyl 4-(cyanomethyl)benzoate
MFCD00060695
Benzoic acid, 4-(cyanomethyl)-, methyl ester
4-(CYANOMETHYL)BENZOATE

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
312.9±25.0 °C at 760 mmHg

[ Melting Point ]:
64ºC

[ Molecular Formula ]:
C10H9NO2

[ Molecular Weight ]:
175.184

[ Flash Point ]:
145.9±9.9 °C

[ Exact Mass ]:
175.063324

[ PSA ]:
50.09000

[ LogP ]:
1.43

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.531

MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

Synthetic Route

Precursor & DownStream

Precursor

  • Methyl (4-hydroxymethyl)benzoate
  • POTASSIUM CYANIDE
  • Methyl 4-(bromomethyl)benzoate
  • Sodium cyanide
  • Trimethylsilyl cyanide
  • Diethyl ether
  • Methyl 4-(chloromethyl)benzoate
  • methyl p-toluate
  • Methanesulfonyl chloride
  • sodium cyanide

DownStream

  • Methyl 4-(2-methoxy-2-oxoethyl)benzoate
  • 4-(Cyanomethyl)benzoic acid
  • 4-(carboxymethyl)-3-nitrobenzoic acid
  • 4-Carboxyphenylacetic acid
  • Fexofenadine
  • 4-(2-Aminoethyl)phenylmethanol
  • Methyl 4-(2-aminoethyl)benzoate
  • Methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate
  • 4-Stilbenecarboxylic acid, 4-chloro-alpha-cyano-
  • 4-(2-aminoethyl)benzaldehyde,hydrochloride

Related Compounds

  • Methyl 4-bromo-2-(cyanomethyl)benzoate
  • methyl 4-(cyanomethyl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate
  • Methyl 4-(cyanomethyl)thiophene-2-carboxylate
  • 3-Cyanomethyl-4-chorobenzoic acid methyl ester
  • 1-methyl-4-cyanomethyl-5-aminopyrazole
  • 1-methyl-4-(cyanomethyl)-1,4-diazepane