3-Cyano-4-fluorobenzoic acid

Modify Date: 2025-08-21 18:02:18

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

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

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
InChIKey	JMHGATOBRPWPBZ-UHFFFAOYSA-N
SMILES	N#Cc1cc(C(=O)O)ccc1F

HS Code	2926909090

2-Fluoro-5-form...

CAS#:218301-22-5

~94%

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

CAS#:201230-82-2

5-Bromo-2-fluor...

CAS#:179897-89-3

~52%

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-fluor...

CAS#:77771-02-9

3-Cyano-4-fluor...

CAS#:171050-06-9

Literature: WO2011/71570 A1, ;

Precursor 4
CAS#:218301-22-5 2-Fluoro-5-form... CAS#:201230-82-2 carbon monoxide CAS#:179897-89-3 5-Bromo-2-fluor... CAS#:77771-02-9 3-Bromo-4-fluor...
DownStream 5
CAS#:676602-31-6 Methyl 3-cyano-... CAS#:171050-07-0 tert-Butyl 3-cy... CAS#:258273-31-3 3-Cyano-4-isopr... CAS#:946007-61-0 4-(Benzyloxy)-3...
CAS#:519059-08-6 3-Cyano-4-fluor...

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%