Cas no 339152-95-3 (1H-Pyrrole-2,5-dione,3-chloro-4-(chloromethyl)-)
339152-95-3 structure
Product Name:1H-Pyrrole-2,5-dione,3-chloro-4-(chloromethyl)-
CAS No:339152-95-3
MF:C5H3Cl2NO2
MW:179.988819360733
CID:320127
PubChem ID:3025984
Update Time:2025-04-19
1H-Pyrrole-2,5-dione,3-chloro-4-(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,5-dione,3-chloro-4-(chloromethyl)-
- 3-chloro-4-(chloromethyl)pyrrole-2,5-dione
- 3-Chloro-4-(chloromethyl)-1H-pyrrole-2,5-dione
- CCRIS 8819
- DTXSID10187538
- 339152-95-3
- 1H-Pyrrole-2,5-dione, 3-chloro-4-(chloromethyl)-
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- Inchi： 1S/C5H3Cl2NO2/c6-1-2-3(7)5(10)8-4(2)9/h1H2,(H,8,9,10)
- InChI Key： RLFMEUOIRRTKEY-UHFFFAOYSA-N
- SMILES： ClC1C(NC(C=1CCl)=O)=O
Computed Properties
- Exact Mass: 178.95419
- Monoisotopic Mass: 178.954084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 234
- 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: 46.2
- XLogP3: 0.5
Experimental Properties
- Density: 1.61
- Boiling Point: 285.1°C at 760 mmHg
- Flash Point: 126.2°C
- Refractive Index: 1.564
- PSA: 46.17
1H-Pyrrole-2,5-dione,3-chloro-4-(chloromethyl)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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