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705-09-9

Basic Information
CAS No.: 705-09-9
Name: 2-Difluoromethyl-1H-benzoimidazole
Article Data: 28
Molecular Structure:
Molecular Structure of 705-09-9 (2-Difluoromethyl-1H-benzoimidazole)
Formula: C8H6F2N2
Molecular Weight: 168.146
Synonyms: Benzimidazole,2-(difluoromethyl)- (6CI,8CI);2-Difluoromethyl-1H-benzimidazole;
Density: 1.366 g/cm3
Melting Point: 155.0 to 159.0 °C
Boiling Point: 309.8 °C at 760 mmHg
Flash Point: 141.1 °C
Hazard Symbols: IrritantXi
PSA: 28.68000
LogP: 2.50050
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  • 2-Difluoromethyl-1H-benzoimidazole

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  • Casno:

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  • 2-(difluoromethyl)-1H-benzo[d]imidazole(705-09-9)

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    2-(difluoromethyl)-1H-benzo[d]imidazole(705-09-9)

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Specification

The 2-Difluoromethyl-1H-benzoimidazole with its cas register number is 705-09-9. It also can be called as 1H-Benzimidazole,2-(difluoromethyl)- and the IUPAC Name about this chemical is 2-(difluoromethyl)-1H-benzimidazole. It belongs to the Benzimidazole.

Physical properties about 2-Difluoromethyl-1H-benzoimidazole are: (1)ACD/LogP: 1.93; (2)ACD/LogD (pH 5.5): 1.91; (3)ACD/LogD (pH 7.4): 1.93; (4)ACD/BCF (pH 5.5): 16.34; (5)ACD/BCF (pH 7.4): 17.14; (6)ACD/KOC (pH 5.5): 253.45; (7)ACD/KOC (pH 7.4): 265.87; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82Å2; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 41.86 cm3; (14)Molar Volume: 123 cm3; (15)Polarizability: 16.59x10-24cm3; (16)Surface Tension: 45.3 dyne/cm; (17)Enthalpy of Vaporization: 52.86 kJ/mol; (18)Vapour Pressure: 0.00114 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C(F)F
(2)InChI: InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
(3)InChIKey: PURNIHSRWGYONZ-UHFFFAOYSA-N