Cas no 77769-19-8 (3,6-dichlorocyclohexa-3,5-diene-1,2-dione)
77769-19-8 structure
Product Name:3,6-dichlorocyclohexa-3,5-diene-1,2-dione
CAS No:77769-19-8
MF:C6H2Cl2O2
MW:176.984879970551
CID:1788989
PubChem ID:153834
Update Time:2025-04-21
3,6-dichlorocyclohexa-3,5-diene-1,2-dione Chemical and Physical Properties
Names and Identifiers
-
- 3,6-dichlorocyclohexa-3,5-diene-1,2-dione
- 3,5-Cyclohexadiene-1,2-dione, 3,6-dichloro-
- 3,6-Dichloro-3,5-cyclohexadiene-1,2-dione
- SCHEMBL5589399
- 77769-19-8
- DTXSID60228384
-
- Inchi： 1S/C6H2Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
- InChI Key： XNNRBBKGMDIIDF-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(C1=O)=O)Cl
Computed Properties
- Exact Mass: 175.943
- Monoisotopic Mass: 175.943
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 235
- 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
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.56
- Boiling Point: 229.7°C at 760 mmHg
- Flash Point: 92.8°C
- Refractive Index: 1.568
3,6-dichlorocyclohexa-3,5-diene-1,2-dione Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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