Name: 2-BROMO-5-(TRIFLUOROMETHOXY)PHENOL
SKU: 205371-26-2

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Basic Information

Molecular Structure:
CAS No.:	205371-26-2
Name:	2-BROMO-5-(TRIFLUOROMETHOXY)PHENOL
Article Data:	3

Formula:	C₇H₄BrF₃O₂
Molecular Weight:	257.007
Synonyms:	2-Bromo-5-(trifluoromethoxy)phenol;
Density:	1.779 g/cm³
Boiling Point:	209.9°Cat760mmHg
Flash Point:	80.7°C
Hazard Symbols:
PSA:	29.46000
LogP:	3.05330

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Specification

The 2-Bromo-5-(trifluoromethoxy)phenol with its cas register number is 205371-26-2. It also can be called as Phenol,2-bromo-5-(trifluoromethoxy)- and the Systematic name about this chemical is 2-bromo-5-(trifluoromethoxy)phenol.

Physical properties about 2-Bromo-5-(trifluoromethoxy)phenol are: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 3.79; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 447.05; (5)ACD/BCF (pH 7.4): 199.3; (6)ACD/KOC (pH 5.5): 2733.72; (7)ACD/KOC (pH 7.4): 1218.7; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.46Å²; (12)Index of Refraction: 1.506; (13)Molar Refractivity: 42.96 cm³; (14)Molar Volume: 144.4 cm³; (15)Polarizability: 17.03x10^-24cm³; (16)Surface Tension: 35.6 dyne/cm; (17)Enthalpy of Vaporization: 46.44 kJ/mol; (18)Vapour Pressure: 0.137 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(OC(F)(F)F)ccc1Br
(2)InChI: InChI=1/C7H4BrF3O2/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3,12H ; (3)InChIKey: RHRRKORKKIVAGJ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H4BrF3O2/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3,12H
(5)Std. InChIKey: RHRRKORKKIVAGJ-UHFFFAOYSA-N