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2-Trifluoromethylbenzoxazole

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Name

2-Trifluoromethylbenzoxazole

EINECS N/A
CAS No. 2008-04-0 Density 1.406 g/cm3
PSA 26.03000 LogP 2.84660
Solubility N/A Melting Point N/A
Formula C8H4F3NO Boiling Point 147.7 °C at 760 mmHg
Molecular Weight 187.12 Flash Point 43.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2008-04-0 (2-Trifluoromethylbenzoxazole) Hazard Symbols N/A
Synonyms

2-Trifluoromethylbenzoxazole;

Article Data 6

2-Trifluoromethylbenzoxazole Specification

The CAS register number of 2-Trifluoromethylbenzoxazole is 2008-04-0. It also can be called as Benzoxazole,2-(trifluoromethyl)- and the systematic name about this chemical is 2-(trifluoromethyl)-1,3-benzoxazole. The molecular formula about this chemical is C8H4F3NO and the molecular weight is 187.12.

Physical properties about 2-Trifluoromethylbenzoxazole are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.84; (4)ACD/BCF (pH 5.5): 84.2; (5)ACD/BCF (pH 7.4): 84.2; (6)ACD/KOC (pH 5.5): 831.27; (7)ACD/KOC (pH 7.4): 831.27; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.03Å2; (10)Index of Refraction: 1.504; (11)Molar Refractivity: 39.46 cm3; (12)Molar Volume: 133 cm3; (13)Polarizability: 15.64x10-24cm3; (14)Surface Tension: 31.9 dyne/cm; (15)Enthalpy of Vaporization: 36.88 kJ/mol; (16)Boiling Point: 147.7 °C at 760 mmHg; (17)Vapour Pressure: 5.55 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc2ccccc2o1
(2)InChI: InChI=1/C8H4F3NO/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
(3)InChIKey: PXCLUIRANQLJTI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H4F3NO/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
(5)Std. InChIKey: PXCLUIRANQLJTI-UHFFFAOYSA-N

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