1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone supplier

Name
1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone
EINECS
CAS No. 142161-53-3
Article Data5
CAS DataBase
Density 1.114 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂O
Boiling Point 375.253 °C at 760 mmHg
Molecular Weight 200.24
Flash Point 180.747 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone;
PSA 34.89000
LogP 2.38330

1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone Specification

The CAS register number of 1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone is 142161-53-3. It also can be called as Ethanone,1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- and the systematic name about this chemical is 1-[4-(4-methylimidazol-1-yl)phenyl]ethanone. The molecular formula about this chemical is C₁₂H₁₂N₂O and the molecular weight is 200.24.

Physical properties about 1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1.453; (3)ACD/LogD (pH 7.4): 1.744; (4)ACD/BCF (pH 5.5): 6.357; (5)ACD/BCF (pH 7.4): 12.413; (6)ACD/KOC (pH 5.5): 107.768; (7)ACD/KOC (pH 7.4): 210.433; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.89Å²; (11)Index of Refraction: 1.585; (12)Molar Refractivity: 60.24 cm³; (13)Molar Volume: 179.789 cm³; (14)Polarizability: 23.881x10^-24cm³; (15)Surface Tension: 40.157 dyne/cm; (16)Enthalpy of Vaporization: 62.275 kJ/mol; (17)Boiling Point: 375.253 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cn(cn1)c2ccc(cc2)C(=O)C
(2)InChI: InChI=1/C12H12N2O/c1-9-7-14(8-13-9)12-5-3-11(4-6-12)10(2)15/h3-8H,1-2H3
(3)InChIKey: XVSAOSPGDUFLCH-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H12N2O/c1-9-7-14(8-13-9)12-5-3-11(4-6-12)10(2)15/h3-8H,1-2H3
(5)Std. InChIKey: XVSAOSPGDUFLCH-UHFFFAOYSA-N

Product Name

1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone

1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone Specification

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