CAS No.63860-31-1,2-BROMO-4-CHLORO-1-NITRO-BENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	63860-31-1
Name:	2-BROMO-4-CHLORO-1-NITRO-BENZENE
Article Data:	7

Formula:	C₆H₃BrClNO₂
Molecular Weight:	236.452
Synonyms:	1-Bromo-5-chloro-2-nitrobenzene;2-Bromo-4-chloro-1-nitrobenzene;
Density:	1.827 g/cm³
Melting Point:	49-50 °C
Boiling Point:	253.4 °C at 760 mmHg
Flash Point:	107.053 °C
Appearance:	Light Yellow Powder
PSA:	45.82000
LogP:	3.53390

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Specification

The 2-Bromo-4-chloronitrobenzene, with the CAS registry number 63860-31-1, is also known as 1-Bromo-5-chloro-2-nitrobenzene. This chemical's molecular formula is C₆H₃BrClNO₂ and molecular weight is 236.45. What's more, its systematic name is 2-Bromo-4-chloro-1-nitrobenzene.

Physical properties of 2-Bromo-4-chloronitrobenzene are: (1)ACD/LogP: 3.121; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 138.73; (6)ACD/BCF (pH 7.4): 138.73; (7)ACD/KOC (pH 5.5): 1188.41; (8)ACD/KOC (pH 7.4): 1188.41; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 45.384 cm³; (15)Molar Volume: 129.411 cm³; (16)Polarizability: 17.991×10^-24cm³; (17)Surface Tension: 53.0 dyne/cm; (18)Density: 1.827 g/cm³; (19)Flash Point: 107.053 °C; (20)Enthalpy of Vaporization: 47.095 kJ/mol; (21)Boiling Point: 253.4 °C at 760 mmHg; (22)Vapour Pressure: 0.03 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(Cl)cc1Br
(2)Std. InChI: InChI=1S/C6H3BrClNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H
(3)Std. InChIKey: VFMAPIFSXMBTQP-UHFFFAOYSA-N