Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Pyridineacetonitrile, 6-(trifluoromethyl)- |
EINECS | N/A |
CAS No. | 765298-04-2 | Density | 1.307 g/cm3 |
PSA | 36.68000 | LogP | 2.16648 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5F3N2 | Boiling Point | 243.6 °C at 760 mmHg |
Molecular Weight | 186.136 | Flash Point | 101.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
[6-(Trifluoromethyl)pyridin-3-yl]acetonitrile; |
Article Data | 9 |
The 3-Pyridineacetonitrile, 6-(trifluoromethyl)-, with the CAS registry number 765298-04-2, is also known as [6-(Trifluoromethyl)pyridin-3-yl]acetonitrile. This chemical's molecular formula is C8H5F3N2 and molecular weight is 186.13. What's more, its systematic name is called 2-[6-(Trifluoromethyl)-3-pyridyl]acetonitrile.
Physical properties about 3-Pyridineacetonitrile, 6-(trifluoromethyl)- are: (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)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1.48; (7)ACD/KOC (pH 5.5): 46.19; (8)ACD/KOC (pH 7.4): 46.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 38.78 cm3; (15)Molar Volume: 142.3 cm3; (16)Polarizability: 15.37×10-24 cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.307 g/cm3; (19)Flash Point: 101.1 °C; (20)Enthalpy of Vaporization: 48.07 kJ/mol; (21)Boiling Point: 243.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0317 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ncc1CC#N)C(F)(F)F
(2) InChI: InChI=1/C8H5F3N2/c9-8(10,11)7-2-1-6(3-4-12)5-13-7/h1-2,5H,3H2
(3) InChIKey: MUURVYOEMFYHRI-UHFFFAOYAG