-
Name
1-METHYL-5-TRIFLUOROMETHYLBENZIMIDAZOLE
- EINECS
- CAS No. 53483-66-2
- Article Data4
- CAS DataBase
- Density 1.342g/cm3
- Solubility
- Melting Point
- Formula C9H7F3N2
- Boiling Point 262.378 °C at 760 mmHg
- Molecular Weight 200.163
- Flash Point 112.483 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-Methyl-5-(trifluoromethyl)benzimidazole;
- PSA 17.82000
- LogP 2.59210
1H-Benzimidazole,1-methyl-5-(trifluoromethyl)- Specification
The 1H-Benzimidazole,1-methyl-5-(trifluoromethyl)-, with the CAS registry number 53483-66-2, is also known as 1-Methyl-5-(trifluoromethyl)benzimidazole. It belongs to the product categories of Benzimidazole; Imidazol&Benzimidazole. This chemical's molecular formula is C9H7F3N2 and molecular weight is 200.1605. What's more, both its IUPAC name and systematic name are the same which is called 1-Methyl-5-(trifluoromethyl)-1H-benzimidazole.
Physical properties about 1H-Benzimidazole,1-methyl-5-(trifluoromethyl)- are: (1)ACD/LogP: 1.55; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 279; (8)ACD/KOC (pH 7.4): 297; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 45.891 cm3; (15)Molar Volume: 149.146 cm3; (16)Surface Tension: 31.744 dyne/cm; (17)Density: 1.342 g/cm3; (18)Flash Point: 112.483 °C; (19)Enthalpy of Vaporization: 50.016 kJ/mol; (20)Boiling Point: 262.378 °C at 760 mmHg; (21)Vapour Pressure: 0.011 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc2ncn(C)c2cc1
(2) InChI: InChI=1/C9H7F3N2/c1-14-5-13-7-4-6(9(10,11)12)2-3-8(7)14/h2-5H,1H3
(3) InChIKey: FZMXBWXWQILZPU-UHFFFAOYAH
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