Cas no 16156-96-0 (1H-Imidazole,1-(2-iodoethyl)-2-methyl-4-nitro-)
16156-96-0 structure
Product Name:1H-Imidazole,1-(2-iodoethyl)-2-methyl-4-nitro-
CAS No:16156-96-0
MF:C6H8IN3O2
MW:281.051093101501
CID:183092
PubChem ID:117422
Update Time:2025-04-19
1H-Imidazole,1-(2-iodoethyl)-2-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,1-(2-iodoethyl)-2-methyl-4-nitro-
- 1-(2-Iodoethyl)-2-methyl-4-nitro-1H-imidazole
- 1-(2-iodoethyl)-2-methyl-4-nitroimidazole
- BRN 0515298
- Imidazole, 1-(2-iodoethyl)-2-methyl-4-nitro-
- DTXSID70167199
- 16156-96-0
-
- Inchi： 1S/C6H8IN3O2/c1-5-8-6(10(11)12)4-9(5)3-2-7/h4H,2-3H2,1H3
- InChI Key： WIQJRGFUJZSBKC-UHFFFAOYSA-N
- SMILES： ICCN1C=C([N+](=O)[O-])N=C1C
Computed Properties
- Exact Mass: 280.96574
- Monoisotopic Mass: 280.966
- 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: 1.2
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 2.03
- Boiling Point: 395.1°Cat760mmHg
- Flash Point: 192.8°C
- Refractive Index: 1.689
- PSA: 60.96
1H-Imidazole,1-(2-iodoethyl)-2-methyl-4-nitro- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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