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Name	3-Bromo-4-nitroaniline	EINECS	N/A
CAS No.	40787-96-0	Density	1.812g/cm³
PSA	71.84000	LogP	3.04390
Solubility	N/A	Melting Point	259 °C
Formula	C₆H₅BrN₂O₂	Boiling Point	339.32 °C at 760 mmHg
Molecular Weight	217.022	Flash Point	159.016 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Aniline,3-bromo-4-nitro- (6CI);3-Bromo-4-nitroaniline;4-Nitro-3-bromoaniline;	Article Data	5

3-Bromo-4-nitroaniline 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

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