Cas no 583-63-1 (3,5-Cyclohexadiene-1,2-dione)
3,5-Cyclohexadiene-1,2-dione structure
Product Name:3,5-Cyclohexadiene-1,2-dione
3,5-Cyclohexadiene-1,2-dione Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Cyclohexadiene-1,2-dione
- 1,2-benzoquinone
- 2-benzoquinone
- o-Benzoquinone(8CI)
- o-Quinone
- SVD1LJ47R7
- CHEBI:17253
- UNII-SVD1LJ47R7
- 3,5-Cyclohexadiene-1,2-dione (9CI)
- cyclohexa-3,5-diene-1,2-dione
- 3,5-Cyclohexadiene-1,2-dione, radical ion(1-)
- o-Benzoquinone, racial ion(1-)
- BRN 2038185
- ortho-quinone
- [1,2]benzoquinone
- SCHEMBL113494
- 4-07-00-02063 (Beilstein Handbook Reference)
- o-Benzoquinone
- Q402601
- 20526-43-6
- o-Benzoquisemiquinone
- 3,5-cyclohexadien-1,2-dione
- ORTHO-BENZOQUINONE
- BENZOQUINONE, O-
- 583-63-1
- SCHEMBL12856677
- C02351
- DTXSID60894765
- InChI=1/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4
- WOAHJDHKFWSLKE-UHFFFAOYSA-N
- AKOS022504362
- benzo-1,2-quinone
-
- Inchi： 1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H
- InChI Key： WOAHJDHKFWSLKE-UHFFFAOYSA-N
- SMILES： O=C1C=CC=CC1=O
Computed Properties
- Exact Mass: 108.02112
- Monoisotopic Mass: 108.021129366g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 165
- 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: 0.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.1860 (rough estimate)
- Melting Point: 65°C (rough estimate)
- Boiling Point: 162.69°C (rough estimate)
- Refractive Index: 1.5017 (estimate)
- PSA: 34.14
3,5-Cyclohexadiene-1,2-dione Security Information
- Safety Term：A poison. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
3,5-Cyclohexadiene-1,2-dione Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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