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CAS No.: | 35312-62-0 |
---|---|
Name: | (1H-IMIDAZOL-2-YL)-PHENYL-METHANONE |
Molecular Structure: | |
Formula: | C10H8N2O |
Molecular Weight: | 172.18 |
Synonyms: | Imidazole,benzoyl- (7CI);Benzoylimidazole; |
Density: | 1.237 /cm3 |
Boiling Point: | 372.6 °C at 760 mmHg |
Flash Point: | 182.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 45.75000 |
LogP: | 1.64070 |
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The 1H-imidazole, benzoyl-, with the CAS registry number 35312-62-0, is also known as imidazol-2-yl phenyl ketone. This chemical's molecular formula is C10H8N2O and molecular weight is 172.18. What's more, its systematic name is 1H-imidazol-2-yl(phenyl)methanone.
Physical properties of 1H-imidazole, benzoyl- are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.62; (6)ACD/BCF (pH 7.4): 5.64; (7)ACD/KOC (pH 5.5): 119.7; (8)ACD/KOC (pH 7.4): 120.05; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 48.57 cm3; (15)Molar Volume: 139 cm3; (16)Polarizability: 19.25×10-24 m3; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.237 g/cm3; (19)Flash Point: 182.6 °C; (20)Enthalpy of Vaporization: 61.98 kJ/mol; (21)Boiling Point: 372.6 °C at 760 mmHg; (22)Vapour Pressure: 9.48E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(c1ccccc1)c2nccn2
(2)InChI: InChI=1/C10H8N2O/c13-9(10-11-6-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12)
(3)InChIKey: JUVDEAXMLQQRFP-UHFFFAOYAZ