ChemicalBook--->CAS DataBase List--->81-58-3

81-58-3

81-58-3 Structure

81-58-3 Structure
IdentificationMore
[Name]

1,4,5,8-Tetrachloroanthraquinone
[CAS]

81-58-3
[Synonyms]

1,4,5,8-TETRACHLOROANTHRAQUINONE
1,4,5,8-tetrachloro-10-anthracenedione
10-Anthracenedione,1,4,5,8-tetrachloro-9
1,4,5,8-tetrachloroanthracene-9,10-dione
1,4,5,8-tetrachloro-9,10-Anthracenedione
[EINECS(EC#)]

201-362-4
[Molecular Formula]

C14H4Cl4O2
[MDL Number]

MFCD00035801
[Molecular Weight]

345.99
[MOL File]

81-58-3.mol
Chemical PropertiesBack Directory
[Melting point ]

342°C(lit.)
[Boiling point ]

510.7±50.0 °C(Predicted)
[density ]

1.672±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Chloroform (Slightly, Heated), DMSO (Slightly, Heated), Pyridine (Slightly, Heat
[form ]

Solid
[color ]

Pale Yellow to Light Yellow
[InChI]

InChI=1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H
[InChIKey]

DUJPMUKIEFLXRE-UHFFFAOYSA-N
[SMILES]

C1(Cl)=C2C(C(=O)C3=C(C2=O)C(Cl)=CC=C3Cl)=C(Cl)C=C1
[CAS DataBase Reference]

81-58-3(CAS DataBase Reference)
[EPA Substance Registry System]

81-58-3(EPA Substance)
Questions And AnswerBack Directory
[Physical Form]

solid
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Anthraquinone
[Preparation Products]

Vat Green 8-->Vat Green 8-->1,4,5,8-tetrakis(phenylamino)anthraquinone
Safety DataBack Directory
[TSCA ]

TSCA listed
[HS Code ]

2914.79.3000
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,4,5,8-Tetrachloroanthraquinone(81-58-3).msds
Hazard InformationBack Directory
[Uses]

1,4,5,8-Tetrachloroanthraquinone is an intermediate used to prepare trianthrimides as potential high-performance pigments. It can also be used to synthesize γ-aminobutyric acid analogs as novel potent GABA-AT (γ-aminobutyrate aminotransferase) inhibitors.
[Synthesis]

Method 1: Put 3000kg of 20% fuming sulfuric acid in chlorination pot, start stirring, then add 250kg anthraquinone, warm up to 90-100℃, continue stirring to dissolve for 1 hour and then add 1kg of iodine of locator agent, after that, pass into chlorine, t
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

81-58-3(sigmaaldrich)
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