CAS No.403646-47-9,5-Bromo-2-(trifluoromethoxy)benzoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	403646-47-9
Name:	5-Bromo-2-(trifluoromethoxy)benzoic acid
Article Data:	5

Formula:	C₈H₄BrF₃O₃
Molecular Weight:	285.017
Synonyms:	5-bromo-2-trifluoromethoxy-benzoic acid;5-Bromo-2-(Trifluoromethoxy)Benzoic Acid;
Density:	1.798 g/cm³
Boiling Point:	287.098 °C at 760 mmHg
Flash Point:	127.432 °C
PSA:	46.53000
LogP:	3.04590

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Specification

The 5-Bromo-2-(trifluoromethoxy)benzoic acid with the cas number 403646-47-9 is also called Benzoic acid,5-bromo-2-(trifluoromethoxy)-. Its molecular formula is C₈H₄BrF₃O₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 48.009 cm³; (15)Molar Volume: 158.541 cm³; (16)Polarizability: 19.032×10^-24cm³; (17)Surface Tension: 40.594 dyne/cm; (18)Enthalpy of Vaporization: 55.58 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1Br)C(=O)O)OC(F)(F)F
(2)InChI: InChI=1/C8H4BrF3O3/c9-4-1-2-6(15-8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
(3)InChIKey: KKBZEPNOWXEZSC-UHFFFAOYAP