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| CAS No.: | 15965-65-8 |
|---|---|
| Name: | 2,6-dichloro-1-Methyl-1H-1,3-benzodiazole |
| Molecular Structure: | |
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| Formula: | C8H6Cl2N2 |
| Molecular Weight: | 201.05 |
| Synonyms: | 2,6-Dichloro-1-methyl-benzimidazole;2,6-Dichloro-1-methyl-1H-benzo[d]imidazole; |
| Density: | 1.462 g/cm3 |
| Boiling Point: | 339.756 °C at 760 mmHg |
| Flash Point: | 159.279 °C |
| PSA: | 17.82000 |
| LogP: | 2.88010 |
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Specification
The 1H-Benzimidazole, 2,6-dichloro-1-methyl-, with the CAS registry number 15965-65-8, is also known as 2,6-Dichloro-1-methyl-1H-benzo[d]imidazole. This chemical's molecular formula is C8H6Cl2N2 and molecular weight is 201.05. What's more, its systematic name is 2,6-dichloro-1-methyl-benzimidazole.
Physical properties of 1H-Benzimidazole, 2,6-dichloro-1-methyl- are: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.034; (4)ACD/LogD (pH 7.4): 3.035; (5)ACD/BCF (pH 5.5): 119.038; (6)ACD/BCF (pH 7.4): 119.35; (7)ACD/KOC (pH 5.5): 1064.287; (8)ACD/KOC (pH 7.4): 1067.074; (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: 1.653; (14)Molar Refractivity: 50.338 cm3; (15)Molar Volume: 137.502 cm3; (16)Polarizability: 19.956×10-24cm3; (17)Surface Tension: 45.794 dyne/cm; (18)Density: 1.462 g/cm3; (19)Flash Point: 159.279 °C; (20)Enthalpy of Vaporization: 58.324 kJ/mol; (21)Boiling Point: 339.756 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c2cc(ccc2nc1Cl)Cl
(2)InChI: InChI=1S/C8H6Cl2N2/c1-12-7-4-5(9)2-3-6(7)11-8(12)10/h2-4H,1H3
(3)InChIKey: UGDFPXYCSUHXBG-UHFFFAOYSA-N