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| CAS No.: | 81107-97-3 |
|---|---|
| Name: | 2-BROMO-4-(TRIFLUOROMETHYL)PHENOL |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H4BrF3O |
| Molecular Weight: | 241.007 |
| Synonyms: | 2-Bromo-4-(trifluoromethyl)phenol;3-Bromo-4-hydroxybenzotrifluoride; |
| Density: | 1.752 g/cm3 |
| Boiling Point: | 196.7 °C at 760 mmHg |
| Flash Point: | 72.8 °C |
| PSA: | 20.23000 |
| LogP: | 3.17350 |
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Specification
The CAS register number of Phenol,2-bromo-4-(trifluoromethyl)- is 81107-97-3. It also can be called as 3-Bromo-4-hydroxybenzotrifluoride and the IUPAC name about this chemical is 2-bromo-4-(trifluoromethyl)phenol. The molecular formula about this chemical is C7H4BrF3O and molecular weight is 241.01.
Physical properties about Phenol,2-bromo-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.50; (2)ACD/LogD (pH 5.5): 3.49; (3)ACD/LogD (pH 7.4): 2.98; (4)ACD/BCF (pH 5.5): 263.43; (5)ACD/BCF (pH 7.4): 81.04; (6)ACD/KOC (pH 5.5): 1865.19; (7)ACD/KOC (pH 7.4): 573.76; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 40.8 cm3; (14)Molar Volume: 137.5 cm3; (15)Polarizability: 16.17x10-24cm3; (16)Surface Tension: 33.1 dyne/cm; (17)Enthalpy of Vaporization: 45.06 kJ/mol; (18)Boiling Point: 196.7 °C at 760 mmHg; (19)Vapour Pressure: 0.28 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1O)C(F)(F)F
(2)InChI: InChI=1/C7H4BrF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
(3)InChIKey: DTEDKIRYMYDIGO-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H4BrF3O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
(5)Std. InChIKey: DTEDKIRYMYDIGO-UHFFFAOYSA-N