Cas no 56894-29-2 (1-(3-chloropropyl)-2-methyl-5-nitro-1H-Imidazole)
56894-29-2 structure
Product Name:1-(3-chloropropyl)-2-methyl-5-nitro-1H-Imidazole
CAS No:56894-29-2
MF:C7H10ClN3O2
MW:203.626200199127
CID:367612
PubChem ID:92560
Update Time:2025-04-19
1-(3-chloropropyl)-2-methyl-5-nitro-1H-Imidazole Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-chloropropyl)-2-methyl-5-nitro-1H-Imidazole
- 1-(3-chloropropyl)-2-methyl-5-nitroimidazole
- EINECS 260-421-2
- 56894-29-2
- NS00033599
- FT-0738683
- SCHEMBL11830546
- DTXSID20205419
-
- Inchi： 1S/C7H10ClN3O2/c1-6-9-5-7(11(12)13)10(6)4-2-3-8/h5H,2-4H2,1H3
- InChI Key： JCQFIQJFPHTLGY-UHFFFAOYSA-N
- SMILES： ClCCCN1C(=CN=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 203.04600
- Monoisotopic Mass: 203.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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: 0.2
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- Density: 1.39
- Boiling Point: 381°C at 760 mmHg
- Flash Point: 184.2°C
- Refractive Index: 1.59
- PSA: 63.64000
- LogP: 2.25180
1-(3-chloropropyl)-2-methyl-5-nitro-1H-Imidazole Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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