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Name |
1H-Benzimidazole,1-[4-(trifluoromethyl)phenyl]- |
EINECS | N/A |
CAS No. | 870450-93-4 | Density | 1.298g/cm3 |
PSA | 17.82000 | LogP | 4.04430 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H9F3N2 | Boiling Point | 359.585 °C at 760 mmHg |
Molecular Weight | 262.234 | Flash Point | 171.271 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(4-TRIFLUOROMETHYLPHENYL)-1H-BENZOIMIDAZOLE |
Article Data | 9 |
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