CAS No.400-05-5,1,4-Dichloro-2,5-difluorobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	400-05-5
Name:	1,4-Dichloro-2,5-difluorobenzene

Formula:	C₆H₂Cl₂F₂
Molecular Weight:	182.985
Synonyms:	Benzene, 1,4-dichloro-2,5-difluoro-;1,4-dichloro-2,5-difluorobenzene;
Density:	1.502 g/cm³
Melting Point:	48-49 °C
Boiling Point:	170.9 °C at 760 mmHg
Flash Point:	59 °C
PSA:	0.00000
LogP:	3.27160

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Specification

The Benzene, 1,4-dichloro-2,5-difluoro-, with the CAS registry number 400-05-5, has the systematic name of 1,4-dichloro-2,5-difluorobenzene. And the molecular formula of this chemical is C₆H₂Cl₂F₂. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzene, 1,4-dichloro-2,5-difluoro- are as following: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 85.29; (6)ACD/BCF (pH 7.4): 85.29; (7)ACD/KOC (pH 5.5): 838.97; (8)ACD/KOC (pH 7.4): 838.97; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 36.03 cm³; (15)Molar Volume: 121.7 cm³; (16)Polarizability: 14.28×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.502 g/cm³; (19)Flash Point: 59 °C; (20)Enthalpy of Vaporization: 39.05 kJ/mol; (21)Boiling Point: 170.9 °C at 760 mmHg; (22)Vapour Pressure: 1.91 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(F)cc(Cl)c(F)c1
(2)InChI: InChI=1/C6H2Cl2F2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
(3)InChIKey: ZETUVEHHRFNQKW-UHFFFAOYAX