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1H-Benzimidazole-7-carboxylicacid, 5-chloro-

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Name

1H-Benzimidazole-7-carboxylicacid, 5-chloro-

EINECS N/A
CAS No. 180569-27-1 Density 1.644 g/cm3
PSA 65.98000 LogP 1.91450
Solubility N/A Melting Point N/A
Formula C8H5ClN2O2 Boiling Point 552.2 °C at 760 mmHg
Molecular Weight 196.593 Flash Point 287.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 180569-27-1 (6-CHLOROBENZIMIDAZOLE-4-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

1H-Benzimidazole-4-carboxylicacid, 6-chloro- (9CI);6-Chloro-1H-benzimidazole-4-carboxylic acid;6-Chloro-4-benzimidazolecarboxylic acid;6-Chlorobenzimidazole-4-carboxylic acid;

Article Data 2

1H-Benzimidazole-7-carboxylicacid, 5-chloro- Specification

The 1H-Benzimidazole-7-carboxylicacid, 5-chloro-, with the CAS registry number 180569-27-1, is also known as 6-Chloro-4-benzimidazolecarboxylic acid. It belongs to the product categories of Benzimidazole; Pharmacetical. This chemical's molecular formula is C8H5ClN2O2 and molecular weight is 196.59. What's more, its systematic name is 6-chloro-1H-benzimidazole-4-carboxylic acid.

Physical properties of 1H-Benzimidazole-7-carboxylicacid, 5-chloro- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 48.44 cm3; (15)Molar Volume: 119.5 cm3; (16)Polarizability: 19.2×10-24cm3; (17)Surface Tension: 84.7 dyne/cm; (18)Density: 1.644 g/cm3; (19)Flash Point: 287.8 °C; (20)Enthalpy of Vaporization: 87.63 kJ/mol; (21)Boiling Point: 552.2 °C at 760 mmHg; (22)Vapour Pressure: 4.97E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc(Cl)cc1c2ncn1
(2)InChI: InChI=1S/C8H5ClN2O2/c9-4-1-5(8(12)13)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: PLUIBRICHWAFJL-UHFFFAOYSA-N

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