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CAS No.: | 94937-86-7 |
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Name: | 2-CHLOROMETHYL-1-PHENYL-1H-BENZOIMIDAZOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H11ClN2 |
Molecular Weight: | 242.708 |
Synonyms: | 1-Phenyl-2-(chloromethyl)benzimidazole;2-Chloromethyl-1-phenyl-1H-benzimidazole; |
Density: | 1.23 g/cm3 |
Boiling Point: | 408.9 °C at 760 mmHg |
Flash Point: | 201.1 °C |
PSA: | 17.82000 |
LogP: | 3.76430 |
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The 1H-Benzimidazole,2-(chloromethyl)-1-phenyl- is an organic compound with the formula C14H11ClN2. With the CAS registry number 94937-86-7, the systematic name of this chemical is 2-(chloromethyl)-1-phenyl-1H-benzimidazole.
Physical properties about 1H-Benzimidazole,2-(chloromethyl)-1-phenyl- are: (1)ACD/LogP: 4.12; (2)ACD/LogD (pH 5.5): 4.08; (3)ACD/LogD (pH 7.4): 4.12; (4)ACD/BCF (pH 5.5): 728.92; (5)ACD/BCF (pH 7.4): 791.59; (6)ACD/KOC (pH 5.5): 3805.33; (7)ACD/KOC (pH 7.4): 4132.49; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.82 Å2; (11)Index of Refraction: 1.639; (12)Molar Refractivity: 71.02 cm3; (13)Molar Volume: 197.2 cm3; (14)Polarizability: 28.15×10-24cm3; (15)Surface Tension: 45.8 dyne/cm; (16)Density: 1.23 g/cm3; (17)Flash Point: 201.1 °C; (18)Enthalpy of Vaporization: 66.1 kJ/mol; (19)Boiling Point: 408.9 °C at 760 mmHg; (20)Vapour Pressure: 6.78E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc2nc1ccccc1n2c3ccccc3
(2)InChI: InChI=1/C14H11ClN2/c15-10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11/h1-9H,10H2
(3)InChIKey: TYOBCMJTBPLYGR-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C14H11ClN2/c15-10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11/h1-9H,10H2
(5)Std. InChIKey: TYOBCMJTBPLYGR-UHFFFAOYSA-N