Cas no 1594-64-5 (1,4,5-Trichloro-9,10-antracenedione)

1,4,5-Trichloro-9,10-antracenedione structure
1594-64-5 structure
Product Name:1,4,5-Trichloro-9,10-antracenedione
CAS No:1594-64-5
MF:C14H5Cl3O2
MW:311.542g/mol
CID:117850
PubChem ID:4639769
Update Time:2024-02-27

1,4,5-Trichloro-9,10-antracenedione Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,4,5-trichloro-
    • 1,4,5-Trichloro-9,10-antracenedione
    • 9,10-Anthracenedione, 1,4,5-trichloro-
    • Inchi: 1S/C14H5Cl3O2/c15-7-3-1-2-6-10(7)14(19)12-9(17)5-4-8(16)11(12)13(6)18/h1-5H
    • InChI Key: ISPZGSLKFNLVQT-UHFFFAOYSA-N
    • SMILES: C1(Cl)=C2C(C(=O)C3=C(C2=O)C=CC=C3Cl)=C(Cl)C=C1

Computed Properties

  • Exact Mass: 309.936
  • Monoisotopic Mass: 309.936
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 412
  • 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: 34.1A^2
  • XLogP3: 4.8

1,4,5-Trichloro-9,10-antracenedione Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Fuming sulfuric acid Catalysts: Mercury sulfate ;  3 h, 120 °C
1.2 Reagents: Sodium chlorate Solvents: Water ;  4 h, 100 °C; 2 h, 100 °C
Reference
Chloroanthraquinones
, Federal Republic of Germany, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Fuming sulfuric acid Catalysts: Mercury sulfate ;  3 h, 120 °C
1.2 Reagents: Sodium chlorate Solvents: Water ;  2 h, 100 °C
Reference
Anthraquinone derivatives
, Federal Republic of Germany, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Chlorine Catalysts: Phthalic anhydride ;  6 h, 195 - 200 °C
Reference
Chloroanthraquinones
, Federal Republic of Germany, , ,

1,4,5-Trichloro-9,10-antracenedione Raw materials

1,4,5-Trichloro-9,10-antracenedione Preparation Products

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