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CAS No.: | 81449-99-2 |
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Name: | 1H-Benzimidazole,5-chloro-1,6-dimethyl-(9CI) |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H9ClN2 |
Molecular Weight: | 180.637 |
Synonyms: | Benzimidazole, 5-chloro-1,6-dimethyl- (2CI);NSC 240561;5-Chloro-1,6-dimethylbenzimidazole;5-Chloro-1,6-dimethyl-1H-benzimidazole; |
Density: | 1.25 g/cm3 |
Boiling Point: | 310.6 °C at 760 mmHg |
Flash Point: | 141.6 °C |
PSA: | 17.82000 |
LogP: | 2.53510 |
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The 1H-Benzimidazole,5-chloro-1,6-dimethyl-, with the CAS registry number 81449-99-2, is also known as 5-chloro-1,6-dimethyl-1H-benzimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C9H9ClN2 and molecular weight is 180.63. What's more, its systematic name is 5-chloro-1,6-dimethylbenzimidazole.
Physical properties of 1H-Benzimidazole,5-chloro-1,6-dimethyl- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 50.16 cm3; (9)Molar Volume: 143.4 cm3; (10)Polarizability: 19.88×10-24cm3; (11)Surface Tension: 39.6 dyne/cm; (12)Density: 1.25 g/cm3; (13)Flash Point: 141.6 °C; (14)Enthalpy of Vaporization: 55.14 kJ/mol; (15)Boiling Point: 310.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000594 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1Cl)N=CN2C
(2)InChI: InChI=1S/C9H9ClN2/c1-6-3-9-8(4-7(6)10)11-5-12(9)2/h3-5H,1-2H3
(3)InChIKey: ZEYPSQGLVLOLLD-UHFFFAOYSA-N