1H-Imidazole,1-[(4-bromophenyl)methyl]- supplier

Name
1-(4-BROMOBENZYL)-1H-IMIDAZOLE
EINECS
CAS No. 72459-46-2
Article Data13
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point 75 °C
Formula C₁₀H₉BrN₂
Boiling Point 371.5 °C at 760 mmHg
Molecular Weight 237.099
Flash Point 178.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Bromobenzyl)-1H-imidazole;1-(4-Bromobenzyl)imidazole;[(4-Bromophenyl)methyl]imidazole;
PSA 17.82000
LogP 2.69390

1H-Imidazole,1-[(4-bromophenyl)methyl]- Specification

The 1H-Imidazole,1-[(4-bromophenyl)methyl]-, with the CAS registry number 72459-46-2, is also known as [(4-Bromophenyl)methyl]imidazole. This chemical's molecular formula is C₁₀H₉BrN₂ and molecular weight is 237.1. What's more, its systematic name is 1-(4-bromobenzyl)-1H-imidazole.

Physical properties of 1H-Imidazole,1-[(4-bromophenyl)methyl]- are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.82 Å²; (7)Index of Refraction: 1.623; (8)Molar Refractivity: 58.09 cm³; (9)Molar Volume: 164.5 cm³; (10)Polarizability: 23.03×10^-24cm³; (11)Surface Tension: 45.8 dyne/cm; (12)Density: 1.44 g/cm³; (13)Flash Point: 178.4 °C; (14)Enthalpy of Vaporization: 59.42 kJ/mol; (15)Boiling Point: 371.5 °C at 760 mmHg; (16)Vapour Pressure: 2.2E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)Cn2ccnc2
(2)InChI: InChI=1S/C10H9BrN2/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7H2
(3)InChIKey: MZJSYLIOMLCYIS-UHFFFAOYSA-N

Product Name

1-(4-BROMOBENZYL)-1H-IMIDAZOLE

1H-Imidazole,1-[(4-bromophenyl)methyl]- Specification

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