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

Name
2-BROMO-1-(4-IMIDAZOL-1-YL-PHENYL)-ETHANONE
EINECS
CAS No. 110668-69-4
Article Data4
CAS DataBase
Density 1.48 g/cm³
Solubility
Melting Point
Formula C₁₁H₉BrN₂O
Boiling Point 405 °C at 760 mmHg
Molecular Weight 265.109
Flash Point 198.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-1-(4-imidazol-1-ylphenyl)ethanone;2-Bromo-1-[4-(1H-imidazol-1-yl)phenyl]ethanone;
PSA 34.89000
LogP 2.44990

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

The Ethanone,2-bromo-1-[4-(1H-imidazol-1-yl)phenyl]-, with the CAS registry number 110668-69-4, is also known as 2-Bromo-1-[4-(1H-imidazol-1-yl)phenyl]ethanone. It belongs to the product categories of Acetyl Halides; Acetyl Halides; Phenyls & Phenyl-Het. This chemical's molecular formula is C₁₁H₉BrN₂O and molecular weight is 265.11. What's more, its systematic name is 2-bromo-1-(4-imidazol-1-ylphenyl)ethanone.

Physical properties of Ethanone,2-bromo-1-[4-(1H-imidazol-1-yl)phenyl]- are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.95; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 34.89 Å²; (9)Index of Refraction: 1.632; (10)Molar Refractivity: 63.55 cm³; (11)Molar Volume: 178 cm³; (12)Polarizability: 25.19×10^-24cm³; (13)Surface Tension: 49.6 dyne/cm; (14)Density: 1.48 g/cm³; (15)Flash Point: 198.7 °C; (16)Enthalpy of Vaporization: 65.65 kJ/mol; (17)Boiling Point: 405 °C at 760 mmHg; (18)Vapour Pressure: 9.08E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C(=O)CBr)n2ccnc2
(2)InChI: InChI=1S/C11H9BrN2O/c12-7-11(15)9-1-3-10(4-2-9)14-6-5-13-8-14/h1-6,8H,7H2
(3)InChIKey: DDQNJOAJAWHIFL-UHFFFAOYSA-N

Product Name

2-BROMO-1-(4-IMIDAZOL-1-YL-PHENYL)-ETHANONE

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

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