1H-Benzimidazole-6-carboxylicacid, 2-phenyl- supplier

Name
2-PHENYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
EINECS
CAS No. 66630-70-4
Article Data18
CAS DataBase
Density 1.377 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₀N₂O₂
Boiling Point 527.6 °C at 760 mmHg
Molecular Weight 238.246
Flash Point 272.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole-5-carboxylicacid, 2-phenyl- (9CI);5(Or 6)-Benzimidazolecarboxylic acid, 2-phenyl- (7CI);
PSA 65.98000
LogP 2.92810

1H-Benzimidazole-6-carboxylicacid, 2-phenyl- Specification

The 1H-Benzimidazole-6-carboxylicacid, 2-phenyl-, with the CAS registry number 66630-70-4, is also known as 2-Phenyl-1H-1,3-benzodiazole-6-carboxylic acid. This chemical's molecular formula is C₁₄H₁₀N₂O₂ and molecular weight is 238.24. Its systematic name is called 2-phenyl-1H-benzimidazole-6-carboxylic acid.

Physical properties of 1H-Benzimidazole-6-carboxylicacid, 2-phenyl-: (1)ACD/LogP: 2.92; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): 0.03; (4)ACD/BCF (pH 5.5): 1.71; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 16.12; (7)ACD/KOC (pH 7.4): 1.19; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.717; (12)Molar Refractivity: 68.14 cm³; (13)Molar Volume: 172.9 cm³; (14)Surface Tension: 70.1 dyne/cm; (15)Density: 1.377 g/cm³; (16)Flash Point: 272.9 °C; (17)Enthalpy of Vaporization: 84.44 kJ/mol; (18)Boiling Point: 527.6 °C at 760 mmHg; (19)Vapour Pressure: 5.85E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c3cc1c(nc(n1)c2ccccc2)cc3
(2)InChI: InChI=1/C14H10N2O2/c17-14(18)10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
(3)InChIKey: SDDSSZSKEQLSGW-UHFFFAOYAL

Product Name

2-PHENYL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID

1H-Benzimidazole-6-carboxylicacid, 2-phenyl- Specification

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