CAS No.40787-96-0,3-BROMO-4-NITROANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40787-96-0
Name:	3-BROMO-4-NITROANILINE
Article Data:	5

Formula:	C₆H₅BrN₂O₂
Molecular Weight:	217.022
Synonyms:	Aniline,3-bromo-4-nitro- (6CI);3-Bromo-4-nitroaniline;4-Nitro-3-bromoaniline;
Density:	1.812g/cm³
Melting Point:	259 °C
Boiling Point:	339.32 °C at 760 mmHg
Flash Point:	159.016 °C
PSA:	71.84000
LogP:	3.04390

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Specification

The 3-Bromo-4-nitroaniline is an organic compound with the formula C₆H₅BrN₂O₂. The IUPAC name of this chemical is 3-bromo-4-nitroaniline. With the CAS registry number 40787-96-0, it is also named as 4-Amino-2-bromonitrobenzene.

Physical properties about 3-Bromo-4-nitroaniline are: (1)ACD/LogP: 2.39; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 71.84 Å²; (6)Index of Refraction: 1.67; (7)Molar Refractivity: 44.725 cm³; (8)Molar Volume: 119.74 cm³; (9)Polarizability: 17.73×10^-24cm³; (10)Surface Tension: 64.311 dyne/cm; (11)Density: 1.812 g/cm³; (12)Flash Point: 159.016 °C; (13)Enthalpy of Vaporization: 58.276 kJ/mol; (14)Boiling Point: 339.32 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(cc1Br)N
(2)InChI: InChI=1/C6H5BrN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
(3)InChIKey: RLAIFIDRVAAEBW-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H5BrN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
(5)Std. InChIKey: RLAIFIDRVAAEBW-UHFFFAOYSA-N