Methyl 3-cyano-4-fluorobenzoate

Modify Date: 2025-09-18 15:34:31

Methyl 3-cyano-4-fluorobenzoate Structure
Methyl 3-cyano-4-fluorobenzoate structure
Common Name Methyl 3-cyano-4-fluorobenzoate
CAS Number 676602-31-6 Molecular Weight 179.148
Density 1.3±0.1 g/cm3 Boiling Point 267.5±25.0 °C at 760 mmHg
Molecular Formula C9H6FNO2 Melting Point N/A
MSDS N/A Flash Point 115.6±23.2 °C

 Names

Name Methyl 3-cyano-4-fluorobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 267.5±25.0 °C at 760 mmHg
Molecular Formula C9H6FNO2
Molecular Weight 179.148
Flash Point 115.6±23.2 °C
Exact Mass 179.038254
PSA 50.09000
LogP 1.70
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.515

 Safety Information

Hazard Codes Xi
HS Code 2926909090

 Synthetic Route

~42%

Methyl 3-cyano-4-fluorobenzoate Structure

Methyl 3-cyano-...

CAS#:676602-31-6

Literature: ELI LILLY AND COMPANY Patent: WO2004/67529 A1, 2004 ; Location in patent: Page 193 - 194 ; WO 2004/067529 A1

~93%

Methyl 3-cyano-4-fluorobenzoate Structure

Methyl 3-cyano-...

CAS#:676602-31-6

Literature: SoftCure Pharmaceuticals AB Patent: WO2008/152142 A1, 2008 ; Location in patent: Page/Page column 22 ;

~61%

Methyl 3-cyano-4-fluorobenzoate Structure

Methyl 3-cyano-...

CAS#:676602-31-6

Literature: VERTEX PHARMACEUTICALS INCORPORATED; HADIDA-RUAH, Sara, Sabina; ARUMUGAM, Vijayalaksmi; DENINNO, Michael, Paul; FRIEMAN, Bryan, A.; KALLEL, Edward, Adam; MILLER, Mark, Thomas; UY, Johnny; ZHOU, Jinglan Patent: WO2013/109521 A1, 2013 ; Location in patent: Paragraph 00287; 00288 ;

~77%

Methyl 3-cyano-4-fluorobenzoate Structure

Methyl 3-cyano-...

CAS#:676602-31-6

Literature: Bayer Schering Pharma Aktiengesellschaft Patent: EP1897885 A1, 2008 ;

~%

Methyl 3-cyano-4-fluorobenzoate Structure

Methyl 3-cyano-...

CAS#:676602-31-6

Literature: Journal of Medicinal Chemistry, , vol. 47, # 6 p. 1339 - 1350

 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 3-cyano-4-fluorobenzoate
3-Cyano-4-fluorobenzoic acid methyl ester
methyl3-cyano-4-fluorobenzoate
Benzoic acid, 3-cyano-4-fluoro-, methyl ester
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