Cas no 27728-29-6 (2,5-Cyclohexadien-1-one,2,6-dichloro-4-(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)-)
27728-29-6 structure
Product Name:2,5-Cyclohexadien-1-one,2,6-dichloro-4-(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS No:27728-29-6
MF:C12H4Cl4O2
MW:321.970959663391
CID:267847
PubChem ID:97026
Update Time:2025-04-19
2,5-Cyclohexadien-1-one,2,6-dichloro-4-(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one,2,6-dichloro-4-(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)-
- 2,6-dichloro-4-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
- 1,5,1',5'-Tetrachlor-[3,3']bicyclohexa-1,4-dienyliden-6,6'-dion
- 1,5,1',5'-tetrachloro-[3,3']bicyclohexa-1,4-dienylidene-6,6'-dione
- 3,3'5,5'-tetrachlorodiphenoquinone
- 3,5,3',5'-tetrachloro-bicyclohexylidene-2,5,2',5'-tetraene-4,4'-dione
- 3.5.3'.5'-Tetrachlor-diphenochinon-(4.4')
- CHEMBL311530
- NSC97139
- 27728-29-6
- 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)-
- NSC 97139
- 2,6-dichloro-4-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
- 2,6-DICHLORO-4-(3,5-DICHLORO-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)-2,5-CYCLOHEXADIEN-1-ONE
- SCHEMBL12267615
- UNII-LUV26KUT5U
- DTXSID30182080
- TCDPQ
- AKOS000279594
- LUV26KUT5U
- NSC-97139
-
- Inchi： 1S/C12H4Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
- InChI Key： LVEOTTHDAMKQML-UHFFFAOYSA-N
- SMILES： ClC1C(C(=C/C(/C=1)=C1/C=C(C(C(=C/1)Cl)=O)Cl)Cl)=O
Computed Properties
- Exact Mass: 319.89672
- Monoisotopic Mass: 319.897
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 516
- 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: 4.6
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.64
- Boiling Point: 232.5°Cat760mmHg
- Flash Point: 94.2°C
- Refractive Index: 1.651
- PSA: 34.14
- LogP: 3.93920
2,5-Cyclohexadien-1-one,2,6-dichloro-4-(3,5-dichloro-4-oxo-2,5-cyclohexadien-1-ylidene)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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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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