CAS No.468075-00-5,2-Bromo-1-chloro-4-(trifluoromethoxy)benzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	468075-00-5
Name:	2-Bromo-1-chloro-4-(trifluoromethoxy)benzene
Article Data:	4

Formula:	C₇H₃BrClF₃O
Molecular Weight:	275.452
Synonyms:	2-Bromo-1-chloro-4-(trifluoromethoxy)benzen;3-BroMo-4-chloro-1-(trifluoroMethoxy)benzene
Density:	1.743 g/cm³
Boiling Point:	205 °C at 760 mmHg
Flash Point:	77.8 °C
PSA:	9.23000
LogP:	4.00110

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Specification

This chemical is called Benzene, 2-bromo-1-chloro-4-(trifluoromethoxy)-, and its systematic name is 2-Bromo-1-chloro-4-(trifluoromethoxy)benzene. With the molecular formula of C₇H₃BrClF₃O, its molecular weight is 275.45. The CAS registry number of this chemical is 468075-00-5.

Other characteristics of the Benzene, 2-bromo-1-chloro-4-(trifluoromethoxy)- can be summarised as followings: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 2038.84; (6)ACD/BCF (pH 7.4): 2038.84; (7)ACD/KOC (pH 5.5): 8136.8; (8)ACD/KOC (pH 7.4): 8136.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 45.97 cm³; (15)Molar Volume: 157.9 cm³; (16)Polarizability: 18.22×10^-24cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.743 g/cm³; (19)Flash Point: 77.8 °C; (20)Enthalpy of Vaporization: 42.32 kJ/mol; (21)Boiling Point: 205 °C at 760 mmHg; (22)Vapour Pressure: 0.366 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(OC(F)(F)F)cc1Br
2.InChI: InChI=1/C7H3BrClF3O/c8-5-3-4(1-2-6(5)9)13-7(10,11)12/h1-3H
3.InChIKey: LTBFNTUNLKPFPI-UHFFFAOYAA