2-Bromo-4-(trifluoromethyl)phenol supplier

Name
2-BROMO-4-(TRIFLUOROMETHYL)PHENOL
EINECS
CAS No. 81107-97-3
Article Data9
CAS DataBase
Density 1.752 g/cm³
Solubility
Melting Point
Formula C₇H₄BrF₃O
Boiling Point 196.7 °C at 760 mmHg
Molecular Weight 241.007
Flash Point 72.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-4-(trifluoromethyl)phenol;3-Bromo-4-hydroxybenzotrifluoride;
PSA 20.23000
LogP 3.17350

2-Bromo-4-(trifluoromethyl)phenol 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

Product Name

2-BROMO-4-(TRIFLUOROMETHYL)PHENOL

2-Bromo-4-(trifluoromethyl)phenol Specification

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