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

Name
6-CHLOROBENZIMIDAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 180569-27-1
Article Data2
CAS DataBase
Density 1.644 g/cm³
Solubility
Melting Point
Formula C₈H₅ClN₂O₂
Boiling Point 552.2 °C at 760 mmHg
Molecular Weight 196.593
Flash Point 287.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 65.98000
LogP 1.91450

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

Product Name

6-CHLOROBENZIMIDAZOLE-4-CARBOXYLIC ACID

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

Related Products

Hot Products