4-Chloro-3-cyanobenzoic acid

Modify Date: 2025-08-26 16:47:09

4-Chloro-3-cyanobenzoic acid Structure
4-Chloro-3-cyanobenzoic acid structure
Common Name 4-Chloro-3-cyanobenzoic acid
CAS Number 117738-76-8 Molecular Weight 181.576
Density 1.5±0.1 g/cm3 Boiling Point 366.5±27.0 °C at 760 mmHg
Molecular Formula C8H4ClNO2 Melting Point N/A
MSDS N/A Flash Point 175.4±23.7 °C

 Names

Name 4-Chloro-3-cyanobenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 366.5±27.0 °C at 760 mmHg
Molecular Formula C8H4ClNO2
Molecular Weight 181.576
Flash Point 175.4±23.7 °C
Exact Mass 180.993057
PSA 61.09000
LogP 2.20
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.611

 Safety Information

HS Code 2926909090

 Synthetic Route

~80%

4-Chloro-3-cyanobenzoic acid Structure

4-Chloro-3-cyan...

CAS#:117738-76-8

Literature: Abbott Laboratories Patent: US5597823 A1, 1997 ; US 5597823 A

~18%

4-Chloro-3-cyanobenzoic acid Structure

4-Chloro-3-cyan...

CAS#:117738-76-8

Literature: Nippon Chemiphar Co., Ltd. Patent: EP1757610 A1, 2007 ; Location in patent: Page/Page column 18 ; EP 1757610 A1

~79%

4-Chloro-3-cyanobenzoic acid Structure

4-Chloro-3-cyan...

CAS#:117738-76-8

Literature: Meyer, Michael D.; Altenbach, Robert J.; Basha, Fatima Z.; Carroll, William A.; Condon, Stephen; Elmore, Steven W.; Kerwin Jr., James F.; Sippy, Kevin B.; Tietje, Karin; Wendt, Michael D.; Hancock, Arthur A.; Brune, Michael E.; Buckner, Steven A.; Drizin, Irene Journal of Medicinal Chemistry, 2000 , vol. 43, # 8 p. 1586 - 1603

 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

Y5935
Benzoic acid, 4-chloro-3-cyano-
4-Chloro-3-cyanobenzoic acid
Benzoic acid,4-chloro-3-cyano
3-cyano-4-chlorobenzoic acid
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