Cas no 54941-81-0 (1-(4-chlorobenzyl)-2-phenyl-1H-imidazole)
54941-81-0 structure
Product Name:1-(4-chlorobenzyl)-2-phenyl-1H-imidazole
CAS No:54941-81-0
MF:C16H13ClN2
MW:268.740822553635
CID:1594376
PubChem ID:3042995
Update Time:2025-04-21
1-(4-chlorobenzyl)-2-phenyl-1H-imidazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-chlorobenzyl)-2-phenyl-1H-imidazole
- 1-[(4-chlorophenyl)methyl]-2-phenylimidazole
- 1-((4-Chlorophenyl)methyl)-2-phenyl-1H-imidazole
- 1H-Imidazole, 1-((4-chlorophenyl)methyl)-2-phenyl-
- DTXSID70203460
- 5-23-07-00196 (Beilstein Handbook Reference)
- 54941-81-0
- BRN 0917159
-
- Inchi： 1S/C16H13ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-11H,12H2
- InChI Key： UWOPOTLAMWFICY-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)CN1C=CN=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 268.07689
- Monoisotopic Mass: 268.076726
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.8
- XLogP3: 3.9
Experimental Properties
- Density: 1.17
- Boiling Point: 454.3°C at 760 mmHg
- Flash Point: 228.6°C
- Refractive Index: 1.616
- PSA: 17.82
1-(4-chlorobenzyl)-2-phenyl-1H-imidazole Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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