Methyl 2-cyano-4-fluorobenzoate

Modify Date: 2024-01-12 17:25:18

Methyl 2-cyano-4-fluorobenzoate Structure
Methyl 2-cyano-4-fluorobenzoate structure
Common Name Methyl 2-cyano-4-fluorobenzoate
CAS Number 127510-96-7 Molecular Weight 179.148
Density 1.27±0.1 g/cm3 Boiling Point 293.3±25.0 °C at 760 mmHg
Molecular Formula C9H6FNO2 Melting Point 104-106 ºC
MSDS N/A Flash Point 131.2±23.2 °C

 Names

Name Methyl 2-Cyano-4-Fluorobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.27±0.1 g/cm3
Boiling Point 293.3±25.0 °C at 760 mmHg
Melting Point 104-106 ºC
Molecular Formula C9H6FNO2
Molecular Weight 179.148
Flash Point 131.2±23.2 °C
Exact Mass 179.038254
PSA 50.09000
LogP 1.24
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.515
Water Solubility Very slightly soluble (0.29 g/L) (25 ºC)

 Safety Information

HS Code 2926909090

 Synthetic Route

~73%

Methyl 2-cyano-4-fluorobenzoate Structure

Methyl 2-cyano-...

CAS#:127510-96-7

Literature: GILEAD CONNECTICUT, INC.; GENENTECH, INC.; CURRIE, Kevin S.; WANG, Xiaojing; YOUNG, Wendy B. Patent: WO2012/31004 A1, 2012 ; Location in patent: Page/Page column 113-114 ; WO 2012/031004 A1

~95%

Methyl 2-cyano-4-fluorobenzoate Structure

Methyl 2-cyano-...

CAS#:127510-96-7

Literature: ASTRAZENECA AB Patent: WO2005/58826 A1, 2005 ; Location in patent: Page/Page column 100 ; WO 2005/058826 A1

~72%

Methyl 2-cyano-4-fluorobenzoate Structure

Methyl 2-cyano-...

CAS#:127510-96-7

Literature: Wrobel, Jay; Dietrich, Arlene; Woolson, Shiela A.; Millen, Jane; McCaleb, Michael; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 24 p. 4613 - 4627

 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%

 Synonyms

Methyl 2-cyano-4-fluorobenzoate
Benzoic acid, 2-cyano-4-fluoro-, methyl ester