3-Cyano-4-fluorobenzoic acid

Modify Date: 2024-01-02 15:37:18

3-Cyano-4-fluorobenzoic acid Structure
3-Cyano-4-fluorobenzoic acid structure
 Common Name 3-Cyano-4-fluorobenzoic acid
CAS Number 171050-06-9 Molecular Weight 165.121
Density 1.4±0.1 g/cm3 Boiling Point 322.4±27.0 °C at 760 mmHg
Molecular Formula C8H4FNO2 Melting Point N/A
MSDS USA Flash Point 148.8±23.7 °C

 Names

Name 3-Cyano-4-fluorobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 322.4±27.0 °C at 760 mmHg
Molecular Formula C8H4FNO2
Molecular Weight 165.121
Flash Point 148.8±23.7 °C
Exact Mass 165.022614
PSA 61.09000
LogP 1.46
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.565

 Safety Information

HS Code 2926909090

 Synthetic Route

2-Fluoro-5-formylbenzonitrile structure

2-Fluoro-5-form...

CAS#:218301-22-5

~94%

3-Cyano-4-fluorobenzoic acid Structure

3-Cyano-4-fluor...

CAS#:171050-06-9

Literature: Woo, L. W. Lawrence; Bubert, Christian; Sutcliffe, Oliver-B.; Smith, Andrew; Chander, Surinder K.; Mahon, Mary F.; Purohit, Atul; Reed, Michael J.; Potter, Barry V. L. Journal of Medicinal Chemistry, 2007 , vol. 50, # 15 p. 3540 - 3560
carbon monoxide structure

carbon monoxide

CAS#:201230-82-2

5-Bromo-2-fluorobenzonitrile structure

5-Bromo-2-fluor...

CAS#:179897-89-3

~52%

3-Cyano-4-fluorobenzoic acid Structure

3-Cyano-4-fluor...

CAS#:171050-06-9

Literature: Ku, Thomas W.; Ali, Fadia E.; Bondinell, William E.; Erhard, Karl F.; Huffmann, William F.; et al. Tetrahedron Letters, 1997 , vol. 38, # 18 p. 3131 - 3134
3-Bromo-4-fluorobenzaldehyde structure

3-Bromo-4-fluor...

CAS#:77771-02-9

~%

3-Cyano-4-fluorobenzoic acid Structure

3-Cyano-4-fluor...

CAS#:171050-06-9

Literature: WO2011/71570 A1, ;

 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

3-Cyano-4-fluorobenzoic acid
Benzoic acid, 3-cyano-4-fluoro-
5-Carboxy-2-fluorobenzonitrile
3-cyano-4-fluoro-benzoic acid
QVR DF CCN
4-fluoro-3-cyanobenzoic acid
Benzoicacid,3-cyano-4-fluoro
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