CAS No.132839-58-8,2-Bromo-1-nitro-4-(trifluoromethyl)benzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132839-58-8
Name:	2-Bromo-1-nitro-4-(trifluoromethyl)benzene
Article Data:	1

Formula:	C₇H₃BrF₃NO₂
Molecular Weight:	270.006
Synonyms:	Benzene, 2-bromo-1-nitro-4-(trifluoromethyl)-;
Density:	1.788 g/cm³
Boiling Point:	224.8 °C at 760 mmHg
Flash Point:	89.7 °C
Hazard Symbols:	T
PSA:	45.82000
LogP:	3.89930

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Specification

The 2-Bromo-1-nitro-4-(trifluoromethyl)benzene, with the CAS registry number of 132839-58-8, is also known as Benzene, 2-bromo-1-nitro-4-(trifluoromethyl)-. Its molecular formula is C₇H₃BrF₃NO₂ and molecular weight is 270.0034.

Physical properties about the 2-Bromo-1-nitro-4-(trifluoromethyl)benzene are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.514; (10)Molar Refractivity: 45.46 cm³; (11)Molar Volume: 150.9 cm³; (12)Surface Tension: 36.2 dyne/cm; (13)Density: 1.788 g/cm³; (14)Flash Point: 89.7 °C; (15)Enthalpy of Vaporization: 44.25 kJ/mol; (16)Boiling Point: 224.8 °C at 760 mmHg; (17)Vapour Pressure: 0.134 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1C(F)(F)F)Br)[N+](=O)[O-]
(2) InChI: InChI=1/C7H3BrF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
(3) InChIKey: DJOLBPUSSIOMKU-UHFFFAOYAQ