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15788-16-6

Basic Information
CAS No.: 15788-16-6
Name: 1H-Benzimidazole-5-carboxylic acid
Article Data: 20
Molecular Structure:
Molecular Structure of 15788-16-6 (1H-Benzimidazole-5-carboxylic acid)
Formula: C8H6N2O2
Molecular Weight: 162.148
Synonyms: 5-Benzimidazolecarboxylic acid (6CI,8CI);3H-Benzo[d]imidazole-5-carboxylic acid;5-Carboxybenzimidazole;Benzimidazole-6-carboxylic acid;
Density: 1.506 g/cm3
Melting Point: > 300 deg C
Boiling Point: 542.5 °C at 760 mmHg
Flash Point: 281.9 °C
Appearance: green-grey to grey-brown powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 65.98000
LogP: 1.26110
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Chemistry

IUPAC Name: 3H-Benzimidazole-5-carboxylic acid 
Following is the structure of 1H-Benzimidazole-6-carboxylicacid (CAS NO.15788-16-6):
                           
Empirical Formula: C8H6N2O2
Molecular Weight: 162.1454 g/mol
Molar Refractivity: 43.54 cm3
Molar Volume: 107.6 cm3
Density: 1.506 g/cm3
Flash Point: 281.9 °C
Melting point: 300 °C
Index of Refraction: 1.743
Surface Tension: 85.2 dyne/cm
Enthalpy of Vaporization: 86.36 kJ/mol
Boiling Point: 542.5 °C at 760 mmHg
Vapour Pressure: 1.34E-12 mmHg at 25 °C
Product Categories of 1H-Benzimidazole-6-carboxylicacid (CAS NO.15788-16-6): BENZIMIDAZOLE; Nitrogen cyclic compounds; Acids and Derivatives; Heterocycles; pharmacetical; API intermediates; Carboxylic Acids; Imidazoles & Benzimidazoles; Benzimidazoles; Building Blocks; Heterocyclic Building Blocks 
Appearance of 1H-Benzimidazole-6-carboxylicacid (CAS NO.15788-16-6): grey - brown - green gray
Canonical SMILES: C1=CC2=C(C=C1C(=O)O)NC=N2
InChI: InChI=1S/C8H6N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)(H,11,12)
InChIKey: COYPLDIXZODDDL-UHFFFAOYSA-N

Toxicity Data With Reference

 1H-Benzimidazole-6-carboxylicacid (CAS NO.15788-16-6) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
HazardClass: IRRITANT

Specification

 1H-Benzimidazole-6-carboxylicacid , its cas register number is 15788-16-6. It also can be called 1H-benzimidazole-5-carboxylic acid ; 5-Benzimidazolecarboxylic acid ; and Acide 1H-benzimidazole-5-carboxylique . 
 1H-Benzimidazole-6-carboxylicacid (CAS NO.15788-16-6) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
 1H-Benzimidazole-6-carboxylicacid (CAS NO.15788-16-6) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, strong bases. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. In addition, it should be stored in a cool, dry place, or stored in a tightly closed container.