CAS No.886762-08-9,3-Amino-4-(trifluoromethoxy)BromoBenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	886762-08-9
Name:	3-Amino-4-(trifluoromethoxy)BromoBenzene

Formula:	C₇H₅BrF₃NO
Molecular Weight:	256.022
Synonyms:	(5-Bromo-2-trifluoromethoxyphenyl)amine;5-Bromo-2-trifluoromethoxyaniline;3-amino-4-(trifluoromethoxy)bromobenzene;
Density:	1.726 g/cm³
Boiling Point:	230.2 °C at 760 mmHg
Flash Point:	93 °C
Hazard Symbols:	Xi
PSA:	35.25000
LogP:	3.51110

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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