Cas no 23431-16-5 (3,5-Cyclohexadiene-1,2-dione,3,4,6-trichloro-)
23431-16-5 structure
Product Name:3,5-Cyclohexadiene-1,2-dione,3,4,6-trichloro-
CAS No:23431-16-5
MF:C6HCl3O2
MW:211.429939031601
CID:276171
PubChem ID:146752
Update Time:2025-04-19
3,5-Cyclohexadiene-1,2-dione,3,4,6-trichloro- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Cyclohexadiene-1,2-dione,3,4,6-trichloro-
- 3,4,6-trichlorocyclohexa-3,5-diene-1,2-dione
- 3,4,6-Trichloro-o-benzoquinone
- o-Benzoquinone, 3,4,6-trichloro-
- SCHEMBL10945411
- 23431-16-5
- DTXSID60177984
-
- Inchi： 1S/C6HCl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
- InChI Key： LWYCZMFZIIJDMM-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(C1=O)=O)Cl)Cl
Computed Properties
- Exact Mass: 209.90433
- Monoisotopic Mass: 209.904212
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 301
- 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
- Topological Polar Surface Area: 34.1
- XLogP3: 2.4
Experimental Properties
- Density: 1.69
- Boiling Point: 197.5°Cat760mmHg
- Flash Point: 77°C
- Refractive Index: 1.582
- PSA: 34.14
3,5-Cyclohexadiene-1,2-dione,3,4,6-trichloro- Related Literature
-
1. The reactions of o-benzoquinones with cyclopentadieneM. F. Ansell,A. F. Gosden,V. J. Leslie,R. A. Murray J. Chem. Soc. C 1971 1401
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