2-Cyanomethylbenzoic acid methyl ester

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Names

[ CAS No. ]:
5597-04-6

[ Name ]:
2-Cyanomethylbenzoic acid methyl ester

[Synonym ]:
2-cyanomethylbenzoic acid methyl ester
MFCD01631304

Chemical & Physical Properties

[ Density]:
1.141g/cm3

[ Boiling Point ]:
133 °C / 1.5mmHg

[ Melting Point ]:
49°C

[ Molecular Formula ]:
C10H9NO2

[ Molecular Weight ]:
175.18400

[ Flash Point ]:
149.6ºC

[ Exact Mass ]:
175.06300

[ PSA ]:
50.09000

[ LogP ]:
1.53928

[ Index of Refraction ]:
1.53

MSDS

Click to get detail MSDS

Safety Information

[ Hazard Codes ]:
T+

[ Risk Phrases ]:
R23/24/25

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

[ RIDADR ]:
2811

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • o-Carboxyphenylacetonitrile
  • Methyl o-methylbenzoate
  • Methanol
  • 3-Chloroisoquinolin-1(2H)-one
  • Methyl 2-bromomethylbenzoate
  • Sodium cyanide
  • 3-Bromoisoquinolin-1(2H)-one
  • diazomethane
  • Phthalide
  • Benzoyl chloride, 2-(cyanomethyl)- (9CI)

DownStream

  • Methyl 2-(2-aminoethyl)benzoate
  • 2-[2-(2-amino-ethyl)-benzoyl]-3,4-dihydro-2H-isoquinolin-1-one
  • 3,4-Dihydroisoquinolin-1(2H)-one

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-Bromo-2-cyanomethylbenzoic acid methyl ester
  • 2-Oxiranepropanoic acid, methyl ester, (2S)
  • 2-ChloroMandelic Acid Methyl Ester
  • 2-Ketocaproic acid methyl ester
  • 2-Methylundecanoic acid methyl ester
  • 2-oxononanoic acid methyl ester