Methyl 4-cyano-3-fluorobenzoate supplier

Name
Methyl 4-cyano-3-fluorobenzoate
EINECS
CAS No. 268734-34-5
Article Data7
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₉H₆FNO₂
Boiling Point 294.9 °C at 760 mmHg
Molecular Weight 179.151
Flash Point 132.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Fluoro-4-methoxycarbonylbenzonitrile;4-Cyano-3-fluorobenzoic acid methyl ester;Methyl 3-fluoro-4-cyanobenzoate;
PSA 50.09000
LogP 1.48398

Methyl 4-cyano-3-fluorobenzoate Specification

The Benzoic acid,4-cyano-3-fluoro-, methyl ester, with the CAS registry number 268734-34-5, is also known as 2-Fluoro-4-methoxycarbonylbenzonitrile. This chemical's molecular formula is C₉H₆FNO₂ and molecular weight is 179.15. What's more, its systematic name is methyl 4-cyano-3-fluorobenzoate.

Physical properties of Benzoic acid,4-cyano-3-fluoro-, methyl ester are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/BCF (pH 5.5): 16.44; (5)ACD/KOC (pH 5.5): 258.15; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 50.09 Å²; (10)Index of Refraction: 1.515; (11)Molar Refractivity: 42.54 cm³; (12)Molar Volume: 140.9 cm³; (13)Surface Tension: 44.5 dyne/cm; (14)Density: 1.27 g/cm³; (15)Flash Point: 132.1 °C; (16)Enthalpy of Vaporization: 53.45 kJ/mol; (17)Boiling Point: 294.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1F)C(=O)OC
(2)InChI: InChI=1S/C9H6FNO2/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4H,1H3
(3)InChIKey: AHJLHWRWDRCIKO-UHFFFAOYSA-N

Product Name

Methyl 4-cyano-3-fluorobenzoate

Methyl 4-cyano-3-fluorobenzoate Specification

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