CAS No.175277-89-1,2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	175277-89-1
Name:	2-(2,2,2-TRIFLUOROETHOXY)PYRIDINE-3-CARBONITRILE

Formula:	C₈H₅F₃N₂O
Molecular Weight:	202.13
Synonyms:	2-(2,2,2-Trifluoroethoxy)nicotinonitrile;
EINECS:	251-156-6
Density:	1.225 g/cm³
Melting Point:	44-46°C
Boiling Point:	237.2 °C at 760 mmHg
Flash Point:	97.3 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 3439
PSA:	45.91000
LogP:	1.89438

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Specification

This chemical is called 3-Pyridinecarbonitrile, 2-(2,2,2-trifluoroethoxy)-, and its systematic name is 2-(2,2,2-trifluoroethoxy)pyridine-3-carbonitrile. With the molecular formula of C₈H₅F₃N₂O, its molecular weight is 202.13. The CAS registry number of this chemical is 175277-89-1. Additionally, its product category is Pyridine.

Other characteristics of the 3-Pyridinecarbonitrile, 2-(2,2,2-trifluoroethoxy)- can be summarised as followings: (1)ACD/LogP: 2.36; (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): 36.77; (6)ACD/BCF (pH 7.4): 36.77; (7)ACD/KOC (pH 5.5): 459.44; (8)ACD/KOC (pH 7.4): 459.44; (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^-24cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 97.3 °C; (20)Enthalpy of Vaporization: 47.4 kJ/mol; (21)Boiling Point: 237.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0454 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, 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)COc1ncccc1C#N
2.InChI: InChI=1/C8H5F3N2O/c9-8(10,11)5-14-7-6(4-12)2-1-3-13-7/h1-3H,5H2
3.InChIKey: ZTQQMHFXDKEKHR-UHFFFAOYAV