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CAS No.: | 72459-46-2 |
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Name: | 1-(4-BROMOBENZYL)-1H-IMIDAZOLE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C10H9BrN2 |
Molecular Weight: | 237.099 |
Synonyms: | 1-(4-Bromobenzyl)-1H-imidazole;1-(4-Bromobenzyl)imidazole;[(4-Bromophenyl)methyl]imidazole; |
Density: | 1.44 g/cm3 |
Melting Point: | 75 °C |
Boiling Point: | 371.5 °C at 760 mmHg |
Flash Point: | 178.4 °C |
PSA: | 17.82000 |
LogP: | 2.69390 |
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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