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4-Chlorobenzimidazole

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Name

4-Chlorobenzimidazole

EINECS
CAS No. 16931-35-4 Density 1.425 g/cm3
Solubility Melting Point 170-171℃
Formula C7H5ClN2 Boiling Point 393.8 °C at 760 mmHg
Molecular Weight 152.58 Flash Point 224.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 16931-35-4 (1H-Benzimidazole,7-chloro-) Hazard Symbols
Synonyms

1H-Benzimidazole,4-chloro- (9CI);Benzimidazole, 4(or 7)-chloro- (7CI);Benzimidazole, 4-chloro-(8CI);4-Chlorobenzimidazole;4-chloro-1H-benzimidazole;7-Chloro-1h-benzimidazole;

 

4-Chlorobenzimidazole Specification

The 1H-Benzimidazole,7-chloro-, with the CAS registry number 16931-35-4, is also known as 7-Chloro-1H-benzimidazole. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C7H5ClN2 and molecular weight is 152.58. What's more, its systematic name is 4-chloro-1H-benzimidazole. 

Physical properties of 1H-Benzimidazole,7-chloro- are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 5.25; (6)ACD/BCF (pH 7.4): 18.23; (7)ACD/KOC (pH 5.5): 79.36; (8)ACD/KOC (pH 7.4): 275.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 41.51 cm3; (15)Molar Volume: 107 cm3; (16)Polarizability: 16.45×10-24 cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.425 g/cm3; (19)Flash Point: 224.2 °C; (20)Enthalpy of Vaporization: 61.86 kJ/mol; (21)Boiling Point: 393.8 °C at 760 mmHg; (22)Vapour Pressure: 4.7E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Clc2cccc1ncnc12
(2)InChI: InChI=1/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
(3)InChIKey: RPYPMOKNVPZWKZ-UHFFFAOYAZ

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