1H-Benzimidazole-2-carboxylicacid, hydrate (1:1) supplier

Name
1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID HYDRATE
EINECS
CAS No. 849776-47-2
Density
Solubility
Melting Point 169-171 °C
Formula C₈H₈N₂O₃
Boiling Point 539.3 °C at 760 mmHg
Molecular Weight 180.16
Flash Point 280 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Benzimidazole-2-carboxylicacid, monohydrate (9CI);2-Carboxy-1H-benzimidazole hydrate;1H-Benzimidazole-2-carboxylic acid hydrate;
PSA 75.21000
LogP 1.19680

1H-Benzimidazole-2-carboxylicacid, hydrate (1:1) Specification

The 1H-Benzimidazole-2-carboxylicacid, hydrate (1:1), with the CAS registry number 849776-47-2, is also known as 2-Carboxy-1H-benzimidazole hydrate. This chemical's molecular formula is C₈H₈N₂O₃ and molecular weight is 180.16. What's more, its systematic name is 1H-benzimidazole-2-carboxylic acid hydrate.

Physical properties of 1H-Benzimidazole-2-carboxylicacid, hydrate (1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 65.98 Å²; (6)Flash Point: 280 °C; (7)Enthalpy of Vaporization: 85.95 kJ/mol; (8)Boiling Point: 539.3 °C at 760 mmHg; (9)Vapour Pressure: 1.84E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O.OC(=O)c1nc2ccccc2n1
(2)InChI: InChI=1S/C8H6N2O2.H2O/c11-8(12)7-9-5-3-1-2-4-6(5)10-7;/h1-4H,(H,9,10)(H,11,12);1H2
(3)InChIKey:YQHUUYLPOCNBKD-UHFFFAOYSA-N

Product Name

1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID HYDRATE

1H-Benzimidazole-2-carboxylicacid, hydrate (1:1) Specification

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