4-(Cyanomethyl)benzoic acid ethyl ester supplier

Name
4-Cyanomethylbenzoic acid
EINECS
CAS No. 83901-88-6
Article Data9
CAS DataBase
Density 1.113 g/cm³
Solubility
Melting Point 28 °C
Formula C₁₁H₁₁NO₂
Boiling Point 325.971 °C at 760 mmHg
Molecular Weight 189.214
Flash Point 153.252 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ethyl 4-cyanomethylbenzoate;
PSA 50.09000
LogP 1.92938

4-(Cyanomethyl)benzoic acid ethyl ester Specification

The 4-(Cyanomethyl)benzoic acid ethyl ester, with the CAS registry number 83901-88-6, has molecular formula is C₁₁H₁₁NO₂and molecular weight is 189.21. Its systematic name is called ethyl 4-(cyanomethyl)benzoate.

Physical properties of 4-(Cyanomethyl)benzoic acid ethyl ester: (1)ACD/LogP: 1.68; (2)#H bond acceptors: 3; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 50.09 Å²; (6)Index of Refraction: 1.525; (7)Molar Refractivity: 52.122 cm³; (8)Molar Volume: 170.033 cm³; (9)Surface Tension: 43.55 dyne/cm; (10)Density: 1.113 g/cm³; (11)Flash Point: 153.252 °C; (12)Enthalpy of Vaporization: 56.814 kJ/mol; (13)Boiling Point: 325.971 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1ccc(cc1)C(=O)OCC
(2)InChI: InChI=1/C11H11NO2/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12/h3-6H,2,7H2,1H3
(3)InChIKey: IOZDJXZPSPNHRS-UHFFFAOYAL

Product Name

4-Cyanomethylbenzoic acid

4-(Cyanomethyl)benzoic acid ethyl ester Specification

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