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| CAS No.: | 406933-21-9 |
|---|---|
| Name: | 2-Cyano-3-trifluoromethylpyridine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C7H3F3N2 |
| Molecular Weight: | 172.109 |
| Synonyms: | 2-Cyano-3-trifluoromethylpyridine;3-Trifluoromethyl-2-pyridinecarbonitrile;3-(trifluoromethyl)pyridine-2-carbonitrile;2-pyridinecarbonitrile, 3-(trifluoromethyl)-; |
| Density: | 1.373 g/cm3 |
| Boiling Point: | 240.468 °C at 760 mmHg |
| Flash Point: | 99.232 °C |
| PSA: | 36.68000 |
| LogP: | 1.97208 |
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Specification
The 2-Pyridinecarbonitrile,3-(trifluoromethyl)-, with the CAS registry number 406933-21-9, has the systematic name of 3-(trifluoromethyl)pyridine-2-carbonitrile. And the molecular formula of this chemical is C7H3F3N2. It is a kind of irritant chemical, and can be stored in the room temperature.
The physical properties of 2-Pyridinecarbonitrile,3-(trifluoromethyl)- are as following: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 153; (8)ACD/KOC (pH 7.4): 153; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 34.109 cm3; (15)Molar Volume: 125.312 cm3; (16)Polarizability: 13.522×10-24cm3; (17)Surface Tension: 37.725 dyne/cm; (18)Density: 1.373 g/cm3; (19)Flash Point: 99.232 °C; (20)Enthalpy of Vaporization: 47.739 kJ/mol; (21)Boiling Point: 240.468 °C at 760 mmHg; (22)Vapour Pressure: 0.038 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ncccc1C(F)(F)F
(2)InChI: InChI=1/C7H3F3N2/c8-7(9,10)5-2-1-3-12-6(5)4-11/h1-3H
(3)InChIKey: RDEFTHKSTLWCEU-UHFFFAOYAK