2-Pyridineacetonitrile,5-(trifluoromethyl)- supplier

Name
5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]ACETONITRILE
EINECS
CAS No. 939793-18-7
Article Data3
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point
Formula C₈H₅F₃N₂
Boiling Point 236.4 °C at 760 mmHg
Molecular Weight 186.136
Flash Point 96.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[5-(trifluoromethyl)-2-pyridyl]acetonitrile;[5-(Trifluoromethyl)pyridin-2-yl]acetonitrile;2-pyridineacetonitrile, 5-(trifluoromethyl)-;5-(Trifluoromethyl)pyridine-2-acetonitrile;
PSA 36.68000
LogP 2.16648

2-Pyridineacetonitrile,5-(trifluoromethyl)- Specification

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

Product Name

5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]ACETONITRILE

2-Pyridineacetonitrile,5-(trifluoromethyl)- Specification

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