1H-Benzimidazole-6-carboxylicacid,1-methyl-(9CI) supplier

Name
1H-Benzimidazole-6-carboxylicacid,1-methyl-(9CI)
EINECS
CAS No. 53484-18-7
Article Data5
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 411.1 °C at 760 mmHg
Molecular Weight 176.175
Flash Point 202.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-1H-benzimidazole-6-carboxylic acid;
PSA 55.12000
LogP 1.27150

1H-Benzimidazole-6-carboxylicacid,1-methyl-(9CI) Specification

The 1H-Benzimidazole-6-carboxylicacid,1-methyl-(9CI), with CAS registry number 53484-18-7, belongs to the following product category: Benzimidazole. It has the systematic name of 1-methyl-1H-benzimidazole-6-carboxylic acid. And the chemical formula of this chemical is C₉H₈N₂O₂. Its molecular weight is 176.172.

Physical properties of 1H-Benzimidazole-6-carboxylicacid,1-methyl-(9CI): (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.22; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.12 Å²; (11)Index of Refraction: 1.653; (12)Molar Refractivity: 47.44 cm³; (13)Molar Volume: 129.5 cm³; (14)Polarizability: 18.81×10^-24cm³; (15)Surface Tension: 53.1 dyne/cm; (16)Density: 1.35 g/cm³; (17)Flash Point: 202.4 °C; (18)Enthalpy of Vaporization: 69.96 kJ/mol; (19)Boiling Point: 411.1 °C at 760 mmHg; (20)Vapour Pressure: 1.7E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2ncn(C)c2c1
(2)InChI: InChI=1/C9H8N2O2/c1-11-5-10-7-3-2-6(9(12)13)4-8(7)11/h2-5H,1H3,(H,12,13)
(3)InChIKey: GKPKZMOUMKZJSM-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-11-5-10-7-3-2-6(9(12)13)4-8(7)11/h2-5H,1H3,(H,12,13)
(5)Std. InChIKey: GKPKZMOUMKZJSM-UHFFFAOYSA-N

Product Name

1H-Benzimidazole-6-carboxylicacid,1-methyl-(9CI)

1H-Benzimidazole-6-carboxylicacid,1-methyl-(9CI) Specification

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