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4-Cyano-3,5-difluorobenzaldehyde

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Name

4-Cyano-3,5-difluorobenzaldehyde

EINECS N/A
CAS No. 433939-88-9 Density 1.357 g/cm3
PSA 40.86000 LogP 1.64898
Solubility N/A Melting Point 48-50 °C
Formula C8H3F2NO Boiling Point 263.13 °C at 760 mmHg
Molecular Weight 167.115 Flash Point 112.937 °C
Transport Information N/A Appearance Light yellow cryst.
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 433939-88-9 (4-CYANO-3,5-DIFLUORO BENZALDEHYDE) Hazard Symbols N/A
Synonyms

2,6-Difluoro-4-formylbenzonitrile;

Article Data 3

4-Cyano-3,5-difluorobenzaldehyde Specification

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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