Name: 2-Amino-5-Bromo-3-Nitrobenzotrifluoride
SKU: 157026-18-1

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Basic Information

Molecular Structure:
CAS No.:	157026-18-1
Name:	2-Amino-5-Bromo-3-Nitrobenzotrifluoride
Article Data:	6

Formula:	C₇H₄BrF₃N₂O₂
Molecular Weight:	285.02
Synonyms:	4-Bromo-2-nitro-6-(trifluoromethyl)aniline;2-Amino-5-bromo-3-nitrobenzotrifluoride;
Density:	1.859 g/cm³
Boiling Point:	273.474 °C at 760 mmHg
Flash Point:	119.193 °C
PSA:	71.84000
LogP:	4.06270

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Specification

The Benzenamine,4-bromo-2-nitro-6-(trifluoromethyl)-, with the CAS registry number 157026-18-1, is also known as 2-Amino-5-bromo-3-nitrobenzotrifluoride. It belongs to the product category of Trifluoromethylbenzene Serise. This chemical's molecular formula is C₇H₄BrF₃N₂O₂ and molecular weight is 285.01807. Its IUPAC name is called 4-bromo-2-nitro-6-(trifluoromethyl)aniline.

Physical properties of Benzenamine,4-bromo-2-nitro-6-(trifluoromethyl)-: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 661; (5)ACD/BCF (pH 7.4): 661; (6)ACD/KOC (pH 5.5): 3634; (7)ACD/KOC (pH 7.4): 3634; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 49.705 cm³; (13)Molar Volume: 153.251 cm³; (14)Surface Tension: 44.716 dyne/cm; (15)Density: 1.86 g/cm³; (16)Flash Point: 119.193 °C; (17)Enthalpy of Vaporization: 51.182 kJ/mol; (18)Boiling Point: 273.474 °C at 760 mmHg; (19)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)C(F)(F)F)Br
(2)InChI: InChI=1S/C7H4BrF3N2O2/c8-3-1-4(7(9,10)11)6(12)5(2-3)13(14)15/h1-2H,12H2
(3)InChIKey: JWIAFKYOENFPNQ-UHFFFAOYSA-N