Cas no 3034-43-3 (1H-Imidazolium,1,3-dimethyl-4-nitro-, iodide (1:1))
3034-43-3 structure
Product Name:1H-Imidazolium,1,3-dimethyl-4-nitro-, iodide (1:1)
CAS No:3034-43-3
MF:C5H8IN3O2
MW:269.040392875671
CID:310420
PubChem ID:145669
Update Time:2025-04-19
1H-Imidazolium,1,3-dimethyl-4-nitro-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazolium,1,3-dimethyl-4-nitro-, iodide (1:1)
- 1,3-dimethyl-4-nitroimidazol-1-ium,iodide
- Imidazolium, 1,3-dimethyl-4-nitro-, iodide
- DTXSID70952688
- 1,3-Dimethyl-5-nitroimidazolium iodide
- 1,3-Dimethyl-5-nitro-1H-imidazol-3-ium iodide
- 3034-43-3
- 1,3-Dimethyl-4-nitroimidazolium iodide
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- Inchi： 1S/C5H8N3O2.HI/c1-6-3-5(8(9)10)7(2)4-6;/h3-4H,1-2H3;1H/q+1;/p-1
- InChI Key： WICMJJSMPKBSLV-UHFFFAOYSA-M
- SMILES： [I-].[O-][N+](C1=C[N+](C)=CN1C)=O
Computed Properties
- Exact Mass: 260.9031
- Monoisotopic Mass: 268.966
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 144
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54.6?2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 51.95
1H-Imidazolium,1,3-dimethyl-4-nitro-, iodide (1:1) Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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