Ethylphenylcyano-acetic acid ethyl ester supplier

Name
Ethylphenylcyano-acetic acid ethyl ester
EINECS 1312995-182-4
CAS No. 718-71-8
Article Data12
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅NO₂
Boiling Point 326.6 °C at 760 mmHg
Molecular Weight 217.268
Flash Point 153.6 °C
Transport Information
Appearance yellowish oil
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyricacid, 2-cyano-2-phenyl-, ethyl ester (6CI,7CI,8CI);Ethylcyanoethylphenylacetate;NSC 69121;Ethyl-2-phenyl-2-cyanobutylate;Ethyl 2-cyano-2-phenylbutanoate;
PSA 50.09000
LogP 2.42108

Ethylphenylcyano-acetic acid ethyl ester Specification

The Benzeneacetic acid, α-cyano-a-ethyl-, ethyl ester, with the CAS registry number 718-71-8, is also known as Ethylphenylcyano-acetic acid ethyl ester. It belongs to the product categories of Aromatics Compounds; Aromatics. This chemical's molecular formula is C₁₃H₁₅NO₂ and formula weight is 217.26. What's more, its IUPAC name is ethyl 2-cyano-2-phenylbutanoate.

Physical properties of Benzeneacetic acid, α-cyano-a-ethyl-, ethyl ester are: (1)ACD/LogP: 3.05 ; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 50.09 Å²; (7)Index of Refraction: 1.506; (8)Molar Refractivity: 60.22 cm³; (9)Molar Volume: 202.5 cm³; (10)Surface Tension: 39.5 dyne/cm; (11)Density: 1.072 g/cm³; (12)Flash Point: 153.6 °C; (13)Enthalpy of Vaporization: 56.88 kJ/mol; (14)Boiling Point: 326.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000214 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C#N)(C1=CC=CC=C1)C(=O)OCC
(2)InChI: InChI=1S/C13H15NO2/c1-3-13(10-14,12(15)16-4-2)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
(3)InChIKey: VCJAUIYSQAXNGB-UHFFFAOYSA-N

Product Name

Ethylphenylcyano-acetic acid ethyl ester

Ethylphenylcyano-acetic acid ethyl ester Specification

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