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| CAS No.: | 2844-05-5 |
|---|---|
| Name: | 2-Bromo-6-(trifluoromethyl)phenol |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H4BrF3O |
| Molecular Weight: | 241.007 |
| Synonyms: | 2-bromo-6-(trifluoromethyl)phenol;Phenol, 2-bromo-6-(trifluoromethyl)-;2-Bromo-6-(trifluoromethyl)phenol 95+% |
| Density: | 1.752 g/cm3 |
| Boiling Point: | 175.9 °C at 760 mmHg |
| Flash Point: | 60.2 °C |
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Specification
The 2-Bromo-6-(trifluoromethyl)phenol, with the CAS registry number 2844-05-5, is also known as Phenol, 2-bromo-6-(trifluoromethyl)-. This chemical's molecular formula is C7H4BrF3O and molecular weight is 241.0052696. What's more, its systematic name is 2-Bromo-6-(trifluoromethyl)phenol.
Physical properties about 2-Bromo-6-(trifluoromethyl)phenol are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 186.14; (6)ACD/BCF (pH 7.4): 20.81; (7)ACD/KOC (pH 5.5): 1422.63; (8)ACD/KOC (pH 7.4): 159.04; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 40.8 cm3; (15)Molar Volume: 137.5 cm3; (16)Polarizability: 16.17×10-24 cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 1.752 g/cm3; (19)Flash Point: 60.2 °C; (20)Enthalpy of Vaporization: 42.92 kJ/mol; (21)Boiling Point: 175.9 °C at 760 mmHg; (22)Vapour Pressure: 0.834 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1c(cccc1Br)C(F)(F)F
(2) InChI: InChI=1/C7H4BrF3O/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3,12H
(3) InChIKey: IIBWBAUXZPOXIZ-UHFFFAOYAY