Cas no 124420-63-9 (Pyrazine, 3,5-dichloro-2-(2-chloro-1,1-dimethylethyl)-)
124420-63-9 structure
Product Name:Pyrazine, 3,5-dichloro-2-(2-chloro-1,1-dimethylethyl)-
CAS No:124420-63-9
MF:C8H9Cl3N2
MW:239.529458761215
CID:235382
PubChem ID:183722
Update Time:2025-04-19
Pyrazine, 3,5-dichloro-2-(2-chloro-1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrazine, 3,5-dichloro-2-(2-chloro-1,1-dimethylethyl)-
- 3,5-dichloro-2-(1-chloro-2-methylpropan-2-yl)pyrazine
- 124420-63-9
- DTXSID10154361
-
- Inchi： 1S/C8H9Cl3N2/c1-8(2,4-9)6-7(11)13-5(10)3-12-6/h3H,4H2,1-2H3
- InChI Key： JUQHFSKQIDTKJL-UHFFFAOYSA-N
- SMILES： ClCC(C)(C)C1C(=NC(=CN=1)Cl)Cl
Computed Properties
- Exact Mass: 237.98337
- Monoisotopic Mass: 237.983
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 175
- 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: 3.5
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.346
- Boiling Point: 294.5°Cat760mmHg
- Flash Point: 159.8°C
- Refractive Index: 1.536
- PSA: 25.78
Pyrazine, 3,5-dichloro-2-(2-chloro-1,1-dimethylethyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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