CAS No.123843-57-2,2,6-Difluoro-4-hydroxybenzonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123843-57-2
Name:	2,6-Difluoro-4-hydroxybenzonitrile
Article Data:	2

Formula:	C₇H₃F₂NO
Molecular Weight:	155.104
Synonyms:	3,5-Difluoro-4-cyanophenol;Benzonitrile, 2,6-difluoro-4-hydroxy-;
Density:	1.44 g/cm³
Melting Point:	127 °C
Boiling Point:	210.2 °C at 760 mmHg
Flash Point:	123 °C
Appearance:	off-white crystal
Hazard Symbols:	Xi
PSA:	44.02000
LogP:	1.54208

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Specification

The 3,5-Difluoro-4-cyanophenol, with the CAS registry number 123843-57-2, has the systematic name of 2,6-difluoro-4-hydroxybenzonitrile. It is a kind of off-white crystal, and belongs to the following product categories: Halide; Fluorobenzene; Alcohols and Derivatives; Boron, Nitrile, Thio,& TM-Cpds; Aromatic Nitriles; Phenol & Thiophenol & Mercaptan. And the molecular formula of this chemical is C₇H₃F₂NO. What's more, it is usually used as intermediates of liquid crystals.

The physical properties of 3,5-Difluoro-4-cyanophenol are as following: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 17.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 241.15; (8)ACD/KOC (pH 7.4): 10.03; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 33.07 cm³; (15)Molar Volume: 106.9 cm³; (16)Polarizability: 13.11×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 53.94 kJ/mol; (21)Boiling Point: 279.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00231 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C#N)c(F)cc(O)c1
(2)InChI: InChI=1/C7H3F2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H
(3)InChIKey: KEIYYIGMDPTAPL-UHFFFAOYAK