| Identification | |
| Name: | Phenol,4-bromo-2-(trifluoromethyl)- |
| Synonyms: | 4-Bromo-2-(trifluoromethyl)benzenol;4-Bromo-2-(trifluoromethyl)phenol; |
| CAS: | 50824-04-9 |
| Molecular Formula: | C7H4BrF3O |
| Molecular Weight: | 241.0053 |
| InChI: | InChI=1/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.752 g/cm3 |
| Refractive index: | 1.505 |
| Specification: |
The 4-Bromo-2-(trifluoromethyl)phenol, with CAS registry number 50824-04-9, belongs to the following product categories: (1)Aromatic Phenols; (2)Phenyls & Phenyl-Het; (3)Phenyls & Phenyl-He. Its systematic name and its IUPAC name are the same, which is 4-bromo-2-(trifluoromethyl)phenol. And the chemical formula of this chemical is C7H4BrF3O. Physical properties of 4-Bromo-2-(trifluoromethyl)phenol: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.07; (5)ACD/BCF (pH 5.5): 211.78; (6)ACD/BCF (pH 7.4): 108.58; (7)ACD/KOC (pH 5.5): 1603.14; (8)ACD/KOC (pH 7.4): 821.9; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 40.8 cm3; (15)Molar Volume: 137.5 cm3; (16)Polarizability: 16.17×10-24cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Enthalpy of Vaporization: 45.76 kJ/mol; (19)Vapour Pressure: 0.195 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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