4-(Trifluoromethyl)-2-pyridineacetonitrile supplier

Name
2-PYRIDINEACETONITRILE, 4-(TRIFLUOROMETHYL)-
EINECS
CAS No. 1000536-10-6
Density 1.307 g/cm³
Solubility
Melting Point
Formula C₈H₅F₃N₂
Boiling Point 237.881 °C at 760 mmHg
Molecular Weight 186.1339
Flash Point 97.667 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyridineacetonitrile, 4-(trifluoromethyl)-;
PSA 36.68000
LogP 2.16648

4-(Trifluoromethyl)-2-pyridineacetonitrile Specification

The 4-(Trifluoromethyl)-2-pyridineacetonitrile, with the CAS registry number 1000536-10-6, is also named as 2-pyridineacetonitrile, 4-(trifluoromethyl)-. Moreover, its molecular formula is C₈H₅F₃N₂ and its molecular weight is 186.1339.

Other characteristics of the 4-(Trifluoromethyl)-2-pyridineacetonitrile can be summarised as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.867; (4)ACD/LogD (pH 7.4): 0.867; (5)ACD/BCF (pH 5.5): 2.683; (6)ACD/BCF (pH 7.4): 2.683; (7)ACD/KOC (pH 5.5): 70.537; (8)ACD/KOC (pH 7.4): 70.538; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 38.787 cm³; (15)Molar Volume: 142.368 cm³; (16)Polarizability: 15.376×10^-24cm³; (17)Surface Tension: 33.896 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 97.667 °C; (20)Enthalpy of Vaporization: 47.472 kJ/mol; (21)Boiling Point: 237.881 °C at 760 mmHg; (22)Vapour Pressure: 0.044 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cnc(cc1C(F)(F)F)CC#N
2.InChI: InChI=1/C8H5F3N2/c9-8(10,11)6-2-4-13-7(5-6)1-3-12/h2,4-5H,1H2
3.InChIKey: WHYZMJPCMMNSSR-UHFFFAOYAL

Product Name

2-PYRIDINEACETONITRILE, 4-(TRIFLUOROMETHYL)-

4-(Trifluoromethyl)-2-pyridineacetonitrile Specification

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