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3-Pyridinecarbonitrile,6-(2,2,2-trifluoroethoxy)-

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Name

3-Pyridinecarbonitrile,6-(2,2,2-trifluoroethoxy)-

EINECS N/A
CAS No. 159981-18-7 Density 1.36 g/cm3
PSA 45.91000 LogP 1.89438
Solubility N/A Melting Point 47-49 °C
Formula C8H5F3N2O Boiling Point 238.8 °C at 760 mmHg
Molecular Weight 202.1333 Flash Point 98.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 159981-18-7 (6-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-CARBONITRILE) Hazard Symbols IrritantXi
Synonyms

2-(2,2,2-Trifluoroethoxy)pyridine-5-carbonitrile;

 

3-Pyridinecarbonitrile,6-(2,2,2-trifluoroethoxy)- Specification

The 3-Pyridinecarbonitrile,6-(2,2,2-trifluoroethoxy)-, with the CAS registry number 159981-18-7, is also known as 2-(2,2,2-Trifluoroethoxy)pyridine-5-carbonitrile. This chemical's molecular formula is C8H5F3N2O and molecular weight is 202.1333. What's more, its systematic name is called 6-(2,2,2-Trifluoroethoxy)pyridine-3-carbonitrile.

Physical properties about 3-Pyridinecarbonitrile,6-(2,2,2-trifluoroethoxy)- are: (1)ACD/LogP: 2.37; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.9; (6)ACD/BCF (pH 7.4): 36.9; (7)ACD/KOC (pH 5.5): 460.59; (8)ACD/KOC (pH 7.4): 460.59; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.91 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 40.48 cm3; (15)Molar Volume: 148 cm3; (16)Polarizability: 16.04×10-24 cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 98.2 °C; (20)Enthalpy of Vaporization: 47.57 kJ/mol; (21)Boiling Point: 238.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0415 mmHg at 25 °C; (23)Melting Point: 47-49 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin or swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)COc1ncc(C#N)cc1
(2) InChI: InChI=1/C8H5F3N2O/c9-8(10,11)5-14-7-2-1-6(3-12)4-13-7/h1-2,4H,5H2
(3) InChIKey: JCCWYJAWPPUERF-UHFFFAOYAV

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