Cas no 16156-95-9 (1H-Imidazole,1-(2-chloroethyl)-2-methyl-4-nitro-)
16156-95-9 structure
Product Name:1H-Imidazole,1-(2-chloroethyl)-2-methyl-4-nitro-
CAS No:16156-95-9
MF:C6H8ClN3O2
MW:189.599619865417
CID:216319
PubChem ID:85310
Update Time:2025-04-19
1H-Imidazole,1-(2-chloroethyl)-2-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,1-(2-chloroethyl)-2-methyl-4-nitro-
- 1-(2-Chloroethyl)-2-methyl-4-nitro-1H-imidazole
- 1-(2-chloroethyl)-2-methyl-4-nitroimidazole
- BRN 0610469
- DTXSID10167198
- Imidazole, 1-(2-chloroethyl)-2-methyl-4-nitro-
- 16156-95-9
-
- Inchi： 1S/C6H8ClN3O2/c1-5-8-6(10(11)12)4-9(5)3-2-7/h4H,2-3H2,1H3
- InChI Key： GPHZIQJSCSATJL-UHFFFAOYSA-N
- SMILES： ClCCN1C=C([N+](=O)[O-])N=C1C
Computed Properties
- Exact Mass: 189.03064
- Monoisotopic Mass: 189.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 173
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 63.6A^2
Experimental Properties
- Density: 1.45
- Boiling Point: 364.8°Cat760mmHg
- Flash Point: 174.4°C
- Refractive Index: 1.604
- PSA: 60.96
1H-Imidazole,1-(2-chloroethyl)-2-methyl-4-nitro- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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