Cas no 877-13-4 (p-Benzoquinone, 2,3,5-trichloro-6-hydroxy-)

p-Benzoquinone, 2,3,5-trichloro-6-hydroxy- structure
877-13-4 structure
Product Name:p-Benzoquinone, 2,3,5-trichloro-6-hydroxy-
CAS No:877-13-4
MF:C6HCl3O3
MW:227.429339170456
CID:2696068
PubChem ID:16204896
Update Time:2025-04-21

p-Benzoquinone, 2,3,5-trichloro-6-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 3,4,6-trichloro-5-hydroxycyclohexa-3,5-diene-1,2-dione
    • NS00132988
    • p-Benzoquinone, 2,3,5-trichloro-6-hydroxy-
    • 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trichloro-6-hydroxy-
    • DTXSID301007757
    • trichlorohydroxybenzoquinone
    • 877-13-4
    • 2,3,5-Trichloro-6-hydroxy-1,4-benzoquinone
    • 2,3,5-trichloro-6-hydroxycyclohexa-2,5-diene-1,4-dione
    • GYRAKEJGIHEOCC-UHFFFAOYSA-N
    • 1,4-Benzoquinone, 3,5,6-trichloro-2-hydroxy-
    • SCHEMBL11052798
    • 2,3,5-Trichloro-6-hydroxy-p-benzoquinone
    • Inchi： 1S/C6HCl3O3/c7-1-2(8)5(11)6(12)3(9)4(1)10/h10H
    • InChI Key： XTSOUASHGTZOMN-UHFFFAOYSA-N
    • SMILES： ClC1=C(C(C(C(=C1O)Cl)=O)=O)Cl

Computed Properties

  • Exact Mass: 225.899127Da
  • Monoisotopic Mass: 225.899127Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 340
  • 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: 1.7
  • Topological Polar Surface Area: 54.4?2

p-Benzoquinone, 2,3,5-trichloro-6-hydroxy- Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Water ;  1 h, pH 7.4, 37 °C
Reference
An unexpected new pathway for nitroxide radical production via more reactive nitrogen-centered amidyl radical intermediate during detoxification of the carcinogenic halogenated quinones by N-alkyl hydroxamic acids
Zhu, Ben-Zhan; et al, Free Radical Biology & Medicine, 2020, 146, 150-159

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Methanol ;  0 °C; 30 min, 0 °C
2.1 Solvents: Water ;  1 h, pH 7.4, 37 °C
Reference
An unexpected new pathway for nitroxide radical production via more reactive nitrogen-centered amidyl radical intermediate during detoxification of the carcinogenic halogenated quinones by N-alkyl hydroxamic acids
Zhu, Ben-Zhan; et al, Free Radical Biology & Medicine, 2020, 146, 150-159

p-Benzoquinone, 2,3,5-trichloro-6-hydroxy- Raw materials

p-Benzoquinone, 2,3,5-trichloro-6-hydroxy- Preparation Products

p-Benzoquinone, 2,3,5-trichloro-6-hydroxy- Related Literature

877-13-4 (p-Benzoquinone, 2,3,5-trichloro-6-hydroxy-) Related Products

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