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78892-77-0

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Basic Information
CAS No.: 78892-77-0
Name: (1H-IMIDAZOL-4-YL)-P-TOLYL-METHANONE
Article Data: 2
Molecular Structure:
Molecular Structure of 78892-77-0 ((1H-IMIDAZOL-4-YL)-P-TOLYL-METHANONE)
Formula: C11H10N2O
Molecular Weight: 186.213
Synonyms: Methanone,1H-imidazol-4-yl(4-methylphenyl)- (9CI);1H-Imidazol-4-yl(4-methylphenyl)methanone;
Density: 1.198 g/cm3
Boiling Point: 436.3 °C at 760 mmHg
Flash Point: 218.3 °C
PSA: 45.75000
LogP: 1.94910
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    (1H-IMIDAZOL-4-YL)-P-TOLYL-METHANONEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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  • Methanone,1H-imidazol-5-yl(4-methylphenyl)-

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    Molecular Formula: C11H10N2O Formula Weight: 186.2099

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Specification

The CAS registry number of Methanone,1H-imidazol-5-yl(4-methylphenyl)- is 78892-77-0. The systematic name is 1H-imidazol-5-yl(4-methylphenyl)methanone. In addition, the molecular formula is C11H10N2O and the molecular weight is 186.21. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.59; (5)ACD/BCF (pH 7.4): 27.71; (6)ACD/KOC (pH 5.5): 373.55; (7)ACD/KOC (pH 7.4): 375.19; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 34.89 Å2; (12)Index of Refraction: 1.603 ; (13)Molar Refractivity: 53.39 cm3; (14)Molar Volume: 155.3 cm3; (15)Polarizability: 21.16 ×10-24cm3; (16)Surface Tension: 52.5 dyne/cm; (17)Density: 1.198 g/cm3; (18)Flash Point: 218.3 °C; (19)Enthalpy of Vaporization: 69.27 kJ/mol; (20)Boiling Point: 436.3 °C at 760 mmHg; (21)Vapour Pressure: 8.21E-08 mmHg at 25°C.

Preparation of Methanone,1H-imidazol-5-yl(4-methylphenyl)-: it can be prepared by 4-bromo-1(3)H-imidazole and 4-methyl-benzaldehyde. This reaction will need reagent BuLi and solvent tetrahydrofuran. The yield is about 36%.

Methanone,1H-imidazol-5-yl(4-methylphenyl)- can be prepared by 4-bromo-1(3)H-imidazole and 4-methyl-benzaldehyde

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C)c2cncn2
(2)InChI: InChI=1/C11H10N2O/c1-8-2-4-9(5-3-8)11(14)10-6-12-7-13-10/h2-7H,1H3,(H,12,13)
(3)InChIKey: JJACNNVFZULNKR-UHFFFAOYAX