Cas no 4592-97-6 (2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl-)
4592-97-6 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl-
CAS No:4592-97-6
MF:C7H3Cl3O2
MW:225.456519365311
CID:332028
PubChem ID:138301
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl-
- Me-triCl-p-benzoquinone radical
- 2,3,5-trichloro-6-methyl-1,4-benzoquinone
- 2,4,5-trichloro-3,6-toluquinone
- 2-methyl-3,5,6-trichloro-1,4-benzoquinone
- 3.5.6-Trichlor-toluchinon
- AC1L3CIJ
- NSC137099
- SureCN7896994
- Trichlor-methyl-[1,4]benzochinon
- trichloro-methyl-[1,4]benzoquinone
- trichlorotoluquinone
- 4592-97-6
- SCHEMBL7896994
- 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trichloro-6-methyl-
- 2,3,5-trichloro-6-methylcyclohexa-2,5-diene-1,4-dione
- DTXSID80196657
- ZBWPOKNIKGLQBA-UHFFFAOYSA-N
- NSC-137099
- NSC 137099
-
- Inchi: 1S/C7H3Cl3O2/c1-2-3(8)7(12)5(10)4(9)6(2)11/h1H3
- InChI Key: ZBWPOKNIKGLQBA-UHFFFAOYSA-N
- SMILES: ClC1C(C(=C(C(C=1C)=O)Cl)Cl)=O
Computed Properties
- Exact Mass: 223.91999
- Monoisotopic Mass: 223.919862g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 339
- 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: 2.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,5-Cyclohexadiene-1,4-dione,2,3,5-trichloro-6-methyl- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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