2-Trifluoromethylpyridin-4-ol supplier

Name
2-(TRIFLUOROMETHYL)-4-HYDROXYPYRIDINE
EINECS
CAS No. 170886-13-2
Article Data10
CAS DataBase
Density 1.423 g/cm³
Solubility
Melting Point 120.0 to 124.0 °C
Formula C₆H₄F₃NO
Boiling Point 324.395 °C at 760 mmHg
Molecular Weight 163.099
Flash Point 149.989 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-2-(trifluoromethyl)pyridine;2-(Trifluoromethyl)-4-hydroxypyridine;
PSA 33.12000
LogP 1.80600

2-Trifluoromethylpyridin-4-ol Specification

The systematic name of 2-(Trifluoromethyl)-4-hydroxypyridine is 2-(trifluoromethyl)pyridin-4(1H)-one. With the CAS registry number 170886-13-2, it is also named as 4-Pyridinol, 2-(trifluoromethyl)-. In addition, its molecular formula is C₆H₄F₃NO and molecular weight is 163.0973.

The other characteristics of 2-(Trifluoromethyl)-4-hydroxypyridine can be summarized as: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 63; (8)ACD/KOC (pH 7.4): 45; (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: 1.437; (14)Molar Refractivity: 30.528 cm³; (15)Molar Volume: 116.633 cm³; (16)Polarizability: 12.102×10^-24cm³; (17)Surface Tension: 28.423 dyne/cm; (18)Density: 1.398 g/cm³; (19)Flash Point: 34.997 °C; (20)Enthalpy of Vaporization: 37.173 kJ/mol; (21)Boiling Point: 134.256 °C at 760 mmHg; (22)Vapour Pressure: 8.157 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)C\1=C\C(=O)\C=C/N/1
(2)InChI: InChI=1/C6H4F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h1-3H,(H,10,11)
(3)InChIKey: LKHCWMQMRXAPHX-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H4F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h1-3H,(H,10,11)
(5)Std. InChIKey: LKHCWMQMRXAPHX-UHFFFAOYSA-N

Product Name

2-(TRIFLUOROMETHYL)-4-HYDROXYPYRIDINE

2-Trifluoromethylpyridin-4-ol Specification

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