Benzenepropanoic acid, a,b-dicyano-, ethyl ester

Modify Date: 2025-08-20 15:48:53

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure
Benzenepropanoic acid, a,b-dicyano-, ethyl ester structure
Common Name Benzenepropanoic acid, a,b-dicyano-, ethyl ester
CAS Number 5473-13-2 Molecular Weight 228.24700
Density 1.163g/cm3 Boiling Point 422.7ºC at 760mmHg
Molecular Formula C13H12N2O2 Melting Point N/A
MSDS N/A Flash Point 184.8ºC

 Names

Name ethyl 2,3-dicyano-3-phenylpropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.163g/cm3
Boiling Point 422.7ºC at 760mmHg
Molecular Formula C13H12N2O2
Molecular Weight 228.24700
Flash Point 184.8ºC
Exact Mass 228.09000
PSA 73.88000
LogP 1.99666
Index of Refraction 1.529
InChIKey AJIQVNWYQUEXKT-UHFFFAOYSA-N
SMILES CCOC(=O)C(C#N)C(C#N)c1ccccc1

 Safety Information

HS Code 2926909090

 Synthetic Route

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Finke, Paul E.; Meurer, Laura C.; Levorse, Dorothy A.; Mills, Sander G.; MacCoss, Malcolm; Sadowski, Sharon; Cascieri, Margaret A.; Tsao, Kwei-Lan; Chicchi, Gary G.; Metzger, Joseph M.; MacIntyre, D. Euan Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 17 p. 4497 - 4503

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Finke, Paul E.; Meurer, Laura C.; Levorse, Dorothy A.; Mills, Sander G.; MacCoss, Malcolm; Sadowski, Sharon; Cascieri, Margaret A.; Tsao, Kwei-Lan; Chicchi, Gary G.; Metzger, Joseph M.; MacIntyre, D. Euan Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 17 p. 4497 - 4503

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Baker; Lapworth Journal of the Chemical Society, 1925 , vol. 127, p. 566

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Baker; Lapworth Journal of the Chemical Society, 1925 , vol. 127, p. 566

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Baker; Leeds Journal of the Chemical Society, 1948 , p. 974,979

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Higson; Thorpe Journal of the Chemical Society, 1906 , vol. 89, p. 1460

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Carrie Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1956 , vol. 243, p. 1213

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Baker; Lapworth Journal of the Chemical Society, 1925 , vol. 127, p. 566

~%

Benzenepropanoic acid, a,b-dicyano-, ethyl ester Structure

Benzenepropanoi...

CAS#:5473-13-2

Literature: Higson; Thorpe Journal of the Chemical Society, 1906 , vol. 89, p. 1460

 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

2,3-Dicyan-3-phenyl-propionsaeure-aethylester
2,3-dicyano-3-phenyl-propionic acid ethyl ester
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