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3-Pyridinol,4-(trifluoromethyl)- (936841-71-3)

Identification
Name:3-Pyridinol,4-(trifluoromethyl)-
Synonyms:4-Trifluoromethylpyridin-3-ol
CAS:936841-71-3
Molecular Formula: C6H4F3NO
Molecular Weight: 163.10
InChI: InChI=1/C6H4F3NO/c7-6(8,9)4-1-2-10-3-5(4)11/h1-3,11H
Molecular Structure: (C6H4F3NO) 4-Trifluoromethylpyridin-3-ol
Properties
Density:1.423g/cm3
Refractive index:1.456
Specification:

This chemical is called 3-Hydroxy-4-(trifluoromethyl)pyridine, and its systematic name is 4-(trifluoromethyl)pyridin-3-ol. With the molecular formula of C6H4F3NO, its molecular weight is 163.10. The CAS registry number of this chemical is 936841-71-3. In addition, the product categories of this chemical are API Intermediates.

Other characteristics of the 3-Hydroxy-4-(trifluoromethyl)pyridine can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 0.73 ; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 33.12 Å2; (9)Index of Refraction: 1.456; (10)Molar Refractivity: 31.2 cm3; (11)Molar Volume: 114.5 cm3; (12)Polarizability: 12.37×10-24cm3; (13)Surface Tension: 32.5 dyne/cm; (14)Density: 1.423 g/cm3; (15)Flash Point: 129.4 °C; (16)Enthalpy of Vaporization: 55.09 kJ/mol; (17)Boiling Point: 290.3 °C at 760 mmHg; (18)Vapour Pressure: 0.0012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccncc1O
2.InChI: InChI=1/C6H4F3NO/c7-6(8,9)4-1-2-10-3-5(4)11/h1-3,11H
3.InChIKey: WKCPGVBFXQBORW-UHFFFAOYAC
4.Std. InChI: InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-10-3-5(4)11/h1-3,11H
5.Std. InChIKey: WKCPGVBFXQBORW-UHFFFAOYSA-N

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