Ethanone, 2-(1H-benzimidazol-2-yl)-1-phenyl- supplier

Name
2-(1H-BENZOIMIDAZOL-2-YL)-1-PHENYL-ETHANONE
EINECS
CAS No. 66838-69-5
Article Data8
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂N₂O
Boiling Point 497.3 °C at 760 mmHg
Molecular Weight 236.273
Flash Point 251 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone, 2-(2-benzimidazolyl)- (6CI);2-Phenacylbenzimidazole;NSC 506249;
PSA 45.75000
LogP 2.98830

Ethanone, 2-(1H-benzimidazol-2-yl)-1-phenyl- Specification

The Ethanone, 2-(1H-benzimidazol-2-yl)-1-phenyl-, with the CAS registry number 66838-69-5, is also known as 2-Phenacylbenzimidazole. This chemical's molecular formula is C₁₅H₁₂N₂O and molecular weight is 236.2686. What's more, both its IUPAC name and systematic name are the same which is called 2-(1H-Benzimidazol-2-yl)-1-phenylethanone.

Physical properties about Ethanone, 2-(1H-benzimidazol-2-yl)-1-phenyl- are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 41.84; (6)ACD/BCF (pH 7.4): 101.4; (7)ACD/KOC (pH 5.5): 389.73; (8)ACD/KOC (pH 7.4): 944.6; (9)#H bond acceptors: 3; (10) #H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 71.13 cm³; (15)Molar Volume: 187.3 cm³; (16)Surface Tension: 60.3 dyne/cm; (17)Density: 1.261 g/cm³; (18)Flash Point: 251 °C; (19)Enthalpy of Vaporization: 76.52 kJ/mol; (20)Boiling Point: 497.3 °C at 760 mmHg; (21)Vapour Pressure: 5.03E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)Cc3nc2ccccc2n3
(2) InChI: InChI=1/C15H12N2O/c18-14(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-13(12)17-15/h1-9H,10H2,(H,16,17)
(3) InChIKey: DROIEDFLBXSKRS-UHFFFAOYAV

Product Name

2-(1H-BENZOIMIDAZOL-2-YL)-1-PHENYL-ETHANONE

Ethanone, 2-(1H-benzimidazol-2-yl)-1-phenyl- Specification

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