CAS No.658-07-1,2,6-Difluoro-4-nitrophenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	658-07-1
Name:	2,6-Difluoro-4-nitrophenol
Article Data:	12

Formula:	C₆H₃F₂NO₃
Molecular Weight:	175.092
Synonyms:	2,6-Difluoro-4-nitrophenol;4-Nitro-2,6-difluorophenol;phenol, 2,6-difluoro-4-nitro-;
Density:	1.619 g/cm³
Melting Point:	99.7-100.7°C
Boiling Point:	254.5 °C at 760 mmHg
Flash Point:	107.7 °C
Hazard Symbols:	Xi
PSA:	66.05000
LogP:	2.10180

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Specification

The 2,6-Difluoro-4-nitrophenol, with the CAS registry number 658-07-1, has the systematic name of 2,6-difluoro-4-nitrophenol, and it is also called phenol, 2,6-difluoro-4-nitro-. The molecular formula of the chemical is C₆H₃F₂NO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 34.66 cm³; (15)Molar Volume: 108.1 cm³; (16)Polarizability: 13.74×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.619 g/cm³; (19)Flash Point: 107.7 °C; (20)Enthalpy of Vaporization: 51.18 kJ/mol; (21)Boiling Point: 254.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0107 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc([N+]([O-])=O)cc(F)c1O
(2)InChI: InChI=1/C6H3F2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
(3)InChIKey: KVVXRISUSPIMLJ-UHFFFAOYAS