4-(Cyanomethyl)benzoic acid

Modify Date: 2025-08-25 16:42:46

4-(Cyanomethyl)benzoic acid Structure
4-(Cyanomethyl)benzoic acid structure
Common Name 4-(Cyanomethyl)benzoic acid
CAS Number 50685-26-2 Molecular Weight 161.157
Density 1.3±0.1 g/cm3 Boiling Point 361.6±25.0 °C at 760 mmHg
Molecular Formula C9H7NO2 Melting Point N/A
MSDS N/A Flash Point 172.5±23.2 °C

 Names

Name 4-(cyanomethyl)benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 361.6±25.0 °C at 760 mmHg
Molecular Formula C9H7NO2
Molecular Weight 161.157
Flash Point 172.5±23.2 °C
Exact Mass 161.047684
PSA 61.09000
LogP 1.13
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.580

 Safety Information

Hazard Codes T+
RIDADR 2811.0
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~83%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Almirall, S.A. Patent: EP2343287 A1, 2011 ; Location in patent: Page/Page column 21 ; EP 2343287 A1

~55%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Boehringer Ingelheim International GmbH Patent: US2004/242572 A1, 2004 ; Location in patent: Page/Page column 35 ;

~27%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Hoffman-La Roche Inc. Patent: US6610846 B1, 2003 ; US 6610846 B1

~97%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Piper, James R.; DeGraw, Joseph I.; Colwell, William T.; Johnson, Cheryl A.; Smith, R. Lane; Waud, William R.; Sirotnak, Francis M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 3 p. 377 - 384

~16%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Meth-Cohn, Otto; Wang, Mei-Xiang Journal of the Chemical Society - Perkin Transactions 1, 1997 , # 21 p. 3197 - 3204

~76%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Former, Carsten; Klaerner, Gerrit; Wagner, Manfred; Muellen, Klaus Advanced Synthesis and Catalysis, 1998 , vol. 340, # 4 p. 367 - 374

~%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Marvel; Kraiman Journal of Organic Chemistry, 1953 , vol. 18, p. 707,708

~%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Mellinghoff Chemische Berichte, 1889 , vol. 22, p. 3208

~%

4-(Cyanomethyl)benzoic acid Structure

4-(Cyanomethyl)...

CAS#:50685-26-2

Literature: Mellinghoff Chemische Berichte, 1889 , vol. 22, p. 3208

 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

4-(Cyanomethyl)benzoic acid
1,4-carboxyphenylacetonitrile
4-Cyanmethyl-benzoesaeure
4-Carboxybenzyl cyanide
41-Cyan-p-toluylsaeure
4-Carboxyphenyl acetonitrile
Benzoic acid, 4-(cyanomethyl)-
4-cyanomethylbenzoic acid
benzoicacidpcyanomethyl
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