9,10-Anthracenedione, 6,7-dichloro-1,4-bis[(4-methylphenyl)amino]-
Basic information
- CAS
70729-59-8- Standard SMILES
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2cc(Cl)c(Cl)cc2C3=O)cc1- InChIKey
UHUSIGIXPSHDGG-UHFFFAOYSA-N- Molecular formula
- C28H20Cl2N2O2
- Average molar mass
- 487.4 g/mol
- Monoisotopic mass
- 486.0901833
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 6,7-dichloro-1,4-bis[(4-methylphenyl)amino]-
- IUPAC
- 6,7-dichloro-1,4-bis(4-methylanilino)anthracene-9,10-dione
- English name
- 6,7-dichloro-1,4-bis[(4-methylphenyl)amino]anthraquinone
- Molecular formula
- C28H20Cl2N2O2
- Molecular weight
- 487.38
Names & synonyms
6,7-Dichloro-1,4-bis-(4-toluidino)anthraquinoneEINECS 274-823-0NSC 3199919,10-Anthracenedione, 6,7-dichloro-1,4-bis[(4-methylphenyl)amino]-DTXSID50721419,10-Anthracenedione, 6,7-dichloro-1,4-bis((4-methylphenyl)amino)-6,7-Dichloro-1,4-di(4-methylphenylamino)anthraquinoneRefChem:548738DTXCID404678370729-59-86,7-dichloro-1,4-bis(4-methylanilino)anthracene-9,10-dioneNSC319991
Show more names
1,4-BIS(P-TOLYLAMINO)-6,7-DICHLOROANTHRAQUINONE6,7-Dichloro-1,4-bis[(4-methylphenyl)amino]-9,10-anthracenedione
6,7-dichloro-1,4-bis(p-tolylamino)anthracene-9,10-dioneNSC-3199916,7-DICHLORO-1,4-BIS[(4-METHYLPHENYL)AMINO]ANTHRAQUINONE6,7-dichloro-1,4-di(4-toluidino)anthra-9,10-quinone6,7-Dichloro-1,4-bis((4-methylphenyl)amino)anthraquinoneR5CC7V6GNVCHEMBL1165311UHUSIGIXPSHDGG-UHFFFAOYSA-N
Database identifiers
- CAS
70729-59-8- PubChem CID
- 72749
- DTXSID
DTXSID5072141- ChEMBL
CHEMBL1165311- UNII
- R5CC7V6GNV
- EC Number
- 274-823-0
- Nikkaji
- J288.789D
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- Boiling point
- 708 · 708.0±60.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- -1.15 · -1.15±0.20(Predicted)
- FDA UNII
- 5 CC7V6GNV · R5CC7V6GNV
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 6,7-dichloro-1,4-bis[(4-methylphenyl)amino]- (70729-59-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 6,7-dichloro-1,4-bis[(4-methylphenyl)amino]-: INACTIVE
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Compound notes
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