CAS No.50824-04-9,4-Bromo-2-(trifluoromethyl)phenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	50824-04-9
Name:	4-Bromo-2-(trifluoromethyl)phenol
Article Data:	15
Cas Database

Formula:	C₇H₄BrF₃O
Molecular Weight:	241.007
Synonyms:	4-Bromo-2-(trifluoromethyl)benzenol;4-Bromo-2-(trifluoromethyl)phenol;
EINECS:	642-593-4
Density:	1.752 g/cm³
Melting Point:	83-85 °C
Boiling Point:	203.4 °C at 760 mmHg
Flash Point:	76.8 °C
Hazard Symbols:	T
PSA:	20.23000
LogP:	3.17350

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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. The chemical formula is C₇H₄BrF₃O and the molecular weight is 241.01.

Physical properties of 4-Bromo-2-(trifluoromethyl)phenol are: (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:
(1)SMILES: Brc1cc(c(O)cc1)C(F)(F)F
(2)InChI: InChI=1/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
(3)InChIKey: PDPGERGWEOJVDC-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
(5)Std. InChIKey: PDPGERGWEOJVDC-UHFFFAOYSA-N