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CAS No.: | 939793-18-7 |
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Name: | 5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]ACETONITRILE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H5F3N2 |
Molecular Weight: | 186.136 |
Synonyms: | 2-[5-(trifluoromethyl)-2-pyridyl]acetonitrile;[5-(Trifluoromethyl)pyridin-2-yl]acetonitrile;2-pyridineacetonitrile, 5-(trifluoromethyl)-;5-(Trifluoromethyl)pyridine-2-acetonitrile; |
Density: | 1.307 g/cm3 |
Boiling Point: | 236.4 °C at 760 mmHg |
Flash Point: | 96.7 °C |
PSA: | 36.68000 |
LogP: | 2.16648 |
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The 2-Pyridineacetonitrile,5-(trifluoromethyl)-, with the CAS registry number 939793-18-7, has the systematic name of 2-[5-(trifluoromethyl)-2-pyridyl]acetonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H5F3N2.
The characteristics of 2-Pyridineacetonitrile,5-(trifluoromethyl)- are as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.53; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 36.68 Å2; (9)Index of Refraction: 1.457; (10)Molar Refractivity: 38.78 cm3; (11)Molar Volume: 142.3 cm3; (12)Polarizability: 15.37×10-24cm3; (13)Surface Tension: 33.8 dyne/cm; (14)Density: 1.307 g/cm3; (15)Flash Point: 96.7 °C; (16)Enthalpy of Vaporization: 47.32 kJ/mol; (17)Boiling Point: 236.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0476 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ncc1C(F)(F)F)CC#N
(2)InChI: InChI=1/C8H5F3N2/c9-8(10,11)6-1-2-7(3-4-12)13-5-6/h1-2,5H,3H2
(3)InChIKey: GTMNJBOEUBLOPE-UHFFFAOYAS