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CAS No.: | 131747-53-0 |
---|---|
Name: | (6-Trifluoromethyl-pyridin-2-yl)-methanol |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H6F3NO |
Molecular Weight: | 177.1238 |
Synonyms: | (6-Trifluoromethyl-pyridin-2-yl)-methanol;6-(Trifluoromethyl)-2-pyridinemethanol |
Density: | 1.362 g/cm3 |
Boiling Point: | 191.1 °C at 760 mmHg |
Flash Point: | 69.4 °C |
PSA: | 33.12000 |
LogP: | 1.59270 |
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The (6-Trifluoromethyl-pyridin-2-yl)-methanol, with CAS registry number 131747-53-0, has the systematic name of [6-(trifluoromethyl)-2-pyridyl]methanol. Besides this, it is also called 2-pyridinemethanol, 6-(trifluoromethyl)-. And the chemical formula of this chemical is C7H6F3NO.
Physical properties of (6-Trifluoromethyl-pyridin-2-yl)-methanol: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/LogD (pH 7.4): 0.11; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 33.12 Å2; (9)Index of Refraction: 1.462; (10)Molar Refractivity: 35.77 cm3; (11)Molar Volume: 129.9 cm3; (12)Polarizability: 14.18×10-24cm3; (13)Surface Tension: 33.2 dyne/cm; (14)Density: 1.362 g/cm3; (15)Flash Point: 69.4 °C; (16)Enthalpy of Vaporization: 45.18 kJ/mol; (17)Boiling Point: 191.1 °C at 760 mmHg; (18)Vapour Pressure: 0.33 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nc(c1)C(F)(F)F)CO
(2)InChI: InChI=1/C7H6F3NO/c8-7(9,10)6-3-1-2-5(4-12)11-6/h1-3,12H,4H2
(3)InChIKey: LDPSHXVZVLFJTP-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H6F3NO/c8-7(9,10)6-3-1-2-5(4-12)11-6/h1-3,12H,4H2
(5)Std. InChIKey: LDPSHXVZVLFJTP-UHFFFAOYSA-N