CAS No.76041-79-7,5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76041-79-7
Name:	5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine
Article Data:	6

Formula:	C₆H₃BrF₃NO
Molecular Weight:	241.9933
Synonyms:	2-Pyridinol, 5-bromo-3-(trifluoromethyl)-;5-Bromo-3-(trifluoromethyl)pyridin-2-ol;
Density:	1.876 g/cm³
Boiling Point:	229.4 °C at 760 mmHg
Flash Point:	92.5 °C
PSA:	32.86000
LogP:	2.15620

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Specification

The systematic name of 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine is 5-bromo-3-(trifluoromethyl)pyridin-2(1H)-one. With the CAS registry number 76041-79-7, it is also named as 2-Pyridinol, 5-bromo-3-(trifluoromethyl)-. It should be stored at room temperature. In addition, its molecular formula is C₆H₃BrF₃NO and molecular weight is 241.9933.

The other characteristics of 5-Bromo-2-hydroxy-3-(trifluoromethyl)pyridine can be summarized as: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.5; (8)ACD/KOC (pH 7.4): 21.37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 38.31 cm³; (15)Molar Volume: 128.9 cm³; (16)Polarizability: 15.18×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.876 g/cm³; (19)Flash Point: 92.5 °C; (20)Enthalpy of Vaporization: 46.6 kJ/mol; (21)Boiling Point: 229.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0698 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)C\1=CC(/Br)=C\NC/1=O
(2)InChI: InChI=1/C6H3BrF3NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)
(3)InChIKey: OPLCXLXORZDTMX-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H3BrF3NO/c7-3-1-4(6(8,9)10)5(12)11-2-3/h1-2H,(H,11,12)
(5)Std. InChIKey: OPLCXLXORZDTMX-UHFFFAOYSA-N