3-Cyanocinnamic Acid

Modify Date: 2025-08-27 19:27:51

3-Cyanocinnamic Acid Structure
3-Cyanocinnamic Acid structure
Common Name 3-Cyanocinnamic Acid
CAS Number 16642-93-6 Molecular Weight 173.168
Density 1.3±0.1 g/cm3 Boiling Point 357.9±25.0 °C at 760 mmHg
Molecular Formula C10H7NO2 Melting Point N/A
MSDS N/A Flash Point 170.3±23.2 °C

 Names

Name 3-cyanocinnamic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 357.9±25.0 °C at 760 mmHg
Molecular Formula C10H7NO2
Molecular Weight 173.168
Flash Point 170.3±23.2 °C
Exact Mass 173.047684
PSA 61.09000
LogP 1.83
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.597
InChIKey WEYFZKRRQZYAJI-SNAWJCMRSA-N
SMILES N#Cc1cccc(C=CC(=O)O)c1
Storage condition 2-8°C

 Safety Information

Hazard Codes Xi
HS Code 2926909090

 Synthetic Route

~79%

3-Cyanocinnamic Acid Structure

3-Cyanocinnamic Acid

CAS#:16642-93-6

Literature: Legoabe, Lesetja; Kruger, Johann; Petzer, Anel; Bergh, Jacobus J.; Petzer, Jacobus P. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 10 p. 5162 - 5174

~79%

3-Cyanocinnamic Acid Structure

3-Cyanocinnamic Acid

CAS#:16642-93-6

Literature: Stadler, Alexander; Yousefi, Behrooz H.; Dallinger, Doris; Walla, Peter; Van Der Eycken, Erik; Kaval, Nadya; Kappe, C. Oliver Organic Process Research and Development, 2003 , vol. 7, # 5 p. 707 - 716

~97%

3-Cyanocinnamic Acid Structure

3-Cyanocinnamic Acid

CAS#:16642-93-6

Literature: Bristol-Myers Squibb Pharma Company Patent: EP934265 B1, 2003 ;

~96%

3-Cyanocinnamic Acid Structure

3-Cyanocinnamic Acid

CAS#:16642-93-6

Literature: Dupont Pharmaceutical Co. Patent: US6057342 A1, 2000 ; US 6057342 A

~%

3-Cyanocinnamic Acid Structure

3-Cyanocinnamic Acid

CAS#:16642-93-6

Literature: US4665189 A1, ;

~%

3-Cyanocinnamic Acid Structure

3-Cyanocinnamic Acid

CAS#:16642-93-6

Literature: US4665189 A1, ;

~%

3-Cyanocinnamic Acid Structure

3-Cyanocinnamic Acid

CAS#:16642-93-6

Literature: Journal of the American Chemical Society, , vol. 70, p. 1560

 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

(2E)-3-(3-Cyanophenyl)acrylic acid
2-Propenoic acid, 3-(3-cyanophenyl)-, (2E)-
3-(3-Cyanophenyl)acrylic acid
3-Cyanocinnamic acid
(2E)-3-(3-cyanophenyl)prop-2-enoic acid
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