1H-Benzimidazole-2-carboxylicacid, 1-methyl- supplier

Name
1-METHYL-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID
EINECS
CAS No. 20572-01-4
Article Data12
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point 146.5 °C
Formula C₉H₈N₂O₂
Boiling Point 403.6 °C at 760 mmHg
Molecular Weight 176.175
Flash Point 197.9 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 2-Benzimidazolecarboxylicacid, 1-methyl- (6CI,7CI,8CI);1-Methylbenzimidazole-2-carboxylic acid;
PSA 55.12000
LogP 1.27150

1H-Benzimidazole-2-carboxylicacid, 1-methyl- Specification

The CAS register number of 1H-Benzimidazole-2-carboxylicacid, 1-methyl- is 20572-01-4. It also can be called as 1-Methylbenzimidazole-2-carboxylic acid and the systematic name about this chemical is 1-methyl-1H-benzimidazole-2-carboxylic acid. The molecular formula about this chemical is C₉H₈N₂O₂ and the molecular weight is 176.17. It belongs to the Benzimidazole.

Physical properties about 1H-Benzimidazole-2-carboxylicacid, 1-methyl- are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): -1.08; (3)ACD/LogD (pH 7.4): -1.84; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.12Å²; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 47.44 cm³; (14)Molar Volume: 129.5 cm³; (15)Polarizability: 18.81x10^-24cm³; (16)Surface Tension: 53.1 dyne/cm; (17)Enthalpy of Vaporization: 69.07 kJ/mol; (18)Boiling Point: 403.6 °C at 760 mmHg; (19)Vapour Pressure: 3.07E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2nc1ccccc1n2C
(2)InChI: InChI=1/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(11)9(12)13/h2-5H,1H3,(H,12,13)
(3)InChIKey: YHHVGKXAIOVFOH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(11)9(12)13/h2-5H,1H3,(H,12,13)
(5)Std. InChIKey: YHHVGKXAIOVFOH-UHFFFAOYSA-N

Product Name

1-METHYL-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID

1H-Benzimidazole-2-carboxylicacid, 1-methyl- Specification

Related Products

Hot Products