The Benzonitrile,2,6-difluoro-4-formyl-, with the CAS registry number 433939-88-9, is also known as 4-Cyano-3,5-Difluorobenzaldehyde. It belongs to the product categories of Liquid Crystal intermediates; Nitrile. This chemical's molecular formula is C8H3F2NO and molecular weight is 167.1123. Its systematic name is called 2,6-difluoro-4-formylbenzonitrile.
Physical properties of Benzonitrile,2,6-difluoro-4-formyl-: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 144; (7)ACD/KOC (pH 7.4): 144; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.505; (11)Molar Refractivity: 36.514 cm3; (12)Molar Volume: 123.164 cm3; (13)Surface Tension: 42.732 dyne/cm; (14)Density: 1.357 g/cm3; (15)Flash Point: 112.937 °C; (16)Enthalpy of Vaporization: 50.095 kJ/mol; (17)Boiling Point: 263.13 °C at 760 mmHg; (18)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(F)cc(cc1F)C=O
(2)InChI: InChI=1/C8H3F2NO/c9-7-1-5(4-12)2-8(10)6(7)3-11/h1-2,4H
(3)InChIKey: TUOLCSUKMUVDOE-UHFFFAOYAB
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