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5-Bromo-2-(trifluoromethoxy)aniline

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Name

5-Bromo-2-(trifluoromethoxy)aniline

EINECS N/A
CAS No. 886762-08-9 Density 1.726 g/cm3
PSA 35.25000 LogP 3.51110
Solubility N/A Melting Point N/A
Formula C7H5BrF3NO Boiling Point 230.2 °C at 760 mmHg
Molecular Weight 256.022 Flash Point 93 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 886762-08-9 (3-Amino-4-(trifluoromethoxy)BromoBenzene) Hazard Symbols IrritantXi
Synonyms

(5-Bromo-2-trifluoromethoxyphenyl)amine;5-Bromo-2-trifluoromethoxyaniline;3-amino-4-(trifluoromethoxy)bromobenzene;

 

5-Bromo-2-(trifluoromethoxy)aniline Specification

The Benzenamine,5-bromo-2-(trifluoromethoxy)-, with CAS registry number 886762-08-9, has the systematic name of 5-bromo-2-(trifluoromethoxy)aniline. Besides this, it is also called 3-Amino-4-(trifluoromethoxy)bromobenzene. And the chemical formula of this chemical is C7H5BrF3NO.

Physical properties of Benzenamine,5-bromo-2-(trifluoromethoxy)-: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 294.52; (6)ACD/BCF (pH 7.4): 294.54; (7)ACD/KOC (pH 5.5): 2036.98; (8)ACD/KOC (pH 7.4): 2037.14; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 45.31 cm3; (15)Molar Volume: 148.2 cm3; (16)Polarizability: 17.96×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Enthalpy of Vaporization: 46.69 kJ/mol; (19)Boiling Point: 230.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0666 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(OC(F)(F)F)cc1)N
(2)InChI: InChI=1/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
(3)InChIKey: FOJWHUFRHXEUBA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H5BrF3NO/c8-4-1-2-6(5(12)3-4)13-7(9,10)11/h1-3H,12H2
(5)Std. InChIKey: FOJWHUFRHXEUBA-UHFFFAOYSA-N

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