Ethanone,2-bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- supplier

Name
2-bromo-1-(4-(4-methyl-1Himidazol-1-yl)phenyl)ethanone
EINECS
CAS No. 810662-38-5
Article Data2
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁BrN₂O
Boiling Point 417.9 °C at 760 mmHg
Molecular Weight 279.136
Flash Point 206.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]ethanone;2-Brom-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]ethanon;
PSA 34.89000
LogP 2.75830

Ethanone,2-bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- Specification

The CAS register number of Ethanone,2-bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- is 810662-38-5. It also can be called as 2-Bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]ethanone and 2-Brom-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]ethanon. The molecular formula about this chemical is C₁₂H₁₁BrN₂O and molecular weight is 279.13254.

Physical properties about Ethanone,2-bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 2.41; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 34.89Å²; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 67.98 cm³; (9)Molar Volume: 193.2 cm³; (10)Polarizability: 26.95x10^-24cm³; (11)Surface Tension: 46.1 dyne/cm; (12)Flash Point: 206.6 °C; (13)Enthalpy of Vaporization: 67.14 kJ/mol; (14)Boiling Point: 417.9 °C at 760 mmHg; (15)Vapour Pressure: 3.41E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cn(cn1)c2ccc(cc2)C(=O)CBr
(2)InChI: InChI=1/C12H11BrN2O/c1-9-7-15(8-14-9)11-4-2-10(3-5-11)12(16)6-13/h2-5,7-8H,6H2,1H3
(3)InChIKey: LKQQZQZAQABIRT-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H11BrN2O/c1-9-7-15(8-14-9)11-4-2-10(3-5-11)12(16)6-13/h2-5,7-8H,6H2,1H3
(5)Std. InChIKey: LKQQZQZAQABIRT-UHFFFAOYSA-N

Product Name

2-bromo-1-(4-(4-methyl-1Himidazol-1-yl)phenyl)ethanone

Ethanone,2-bromo-1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]- Specification

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