1H-Benzimidazole,1-[4-(trifluoromethyl)phenyl]- supplier

Name
1-(4-TRIFLUOROMETHYLPHENYL)-1H-BENZOIMIDAZOLE
EINECS
CAS No. 870450-93-4
Article Data9
CAS DataBase
Density 1.298g/cm³
Solubility
Melting Point
Formula C₁₄H₉F₃N₂
Boiling Point 359.585 °C at 760 mmHg
Molecular Weight 262.234
Flash Point 171.271 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-TRIFLUOROMETHYLPHENYL)-1H-BENZOIMIDAZOLE
PSA 17.82000
LogP 4.04430

1H-Benzimidazole,1-[4-(trifluoromethyl)phenyl]- Specification

The 1H-Benzimidazole,1-[4-(trifluoromethyl)phenyl]-, with CAS registry number 870450-93-4, belongs to the following product category: Pharmacetical. It has the systematic name of 1-[4-(trifluoromethyl)phenyl]-1H-benzimidazole. And the chemical formula of this chemical is C₁₄H₉F₃N₂.

Physical properties of 1H-Benzimidazole,1-[4-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.82 Å²; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 66.572 cm³; (9)Molar Volume: 202.05 cm³; (10)Polarizability: 26.391×10^-24cm³; (11)Surface Tension: 37.438 dyne/cm; (12)Density: 1.298 g/cm³; (13)Flash Point: 171.271 °C; (14)Enthalpy of Vaporization: 60.52 kJ/mol; (15)Boiling Point: 359.585 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)n2c3ccccc3nc2
(2)InChI: InChI=1/C14H9F3N2/c15-14(16,17)10-5-7-11(8-6-10)19-9-18-12-3-1-2-4-13(12)19/h1-9H
(3)InChIKey: KSXNZGIGSBSYLU-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H9F3N2/c15-14(16,17)10-5-7-11(8-6-10)19-9-18-12-3-1-2-4-13(12)19/h1-9H
(5)Std. InChIKey: KSXNZGIGSBSYLU-UHFFFAOYSA-N

Product Name

1-(4-TRIFLUOROMETHYLPHENYL)-1H-BENZOIMIDAZOLE

1H-Benzimidazole,1-[4-(trifluoromethyl)phenyl]- Specification

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