Cas no 21598-37-8 (Pyrazine, 2-chloro-3-(dichloromethyl)-)
21598-37-8 structure
Product Name:Pyrazine, 2-chloro-3-(dichloromethyl)-
CAS No:21598-37-8
MF:C5H3Cl3N2
MW:197.449717760086
CID:1402640
PubChem ID:13382643
Update Time:2025-04-20
Pyrazine, 2-chloro-3-(dichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine, 2-chloro-3-(dichloromethyl)-
- 2-chloro-3-(dichloromethyl)Pyrazine
- 21598-37-8
- DA-26670
- SCHEMBL5641820
- DTXSID50538924
- 2-dichloromethyl-3-chloropyrazine
-
- Inchi： 1S/C5H3Cl3N2/c6-4(7)3-5(8)10-2-1-9-3/h1-2,4H
- InChI Key： GJOBDDDTRPSCDJ-UHFFFAOYSA-N
- SMILES： ClC(C1C(=NC=CN=1)Cl)Cl
Computed Properties
- Exact Mass: 195.93639
- Monoisotopic Mass: 195.936181g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 109
- 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: 1.9
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrazine, 2-chloro-3-(dichloromethyl)- Related Literature
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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