CAS No.159981-18-7,6-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	159981-18-7
Name:	6-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-CARBONITRILE

Formula:	C₈H₅F₃N₂O
Molecular Weight:	202.1333
Synonyms:	2-(2,2,2-Trifluoroethoxy)pyridine-5-carbonitrile;
Density:	1.36 g/cm³
Melting Point:	47-49 °C
Boiling Point:	238.8 °C at 760 mmHg
Flash Point:	98.2 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	45.91000
LogP:	1.89438

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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