CAS 2478-67-3 9,10-Anthracenedione, 1-amino-2-chloro-4-hydroxy- (HCID 75590)

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Basic information

CAS: 2478-67-3
Standard SMILES: Nc1c(Cl)cc(O)c2c1C(=O)c1ccccc1C2=O
InChIKey: MFAVJLWGAQYYNX-UHFFFAOYSA-N
Molecular formula: C14H8ClNO3
Average molar mass: 273.67 g/mol
Monoisotopic mass: 273.0192708

Names & identifiers

Preferred name: 9,10-Anthracenedione, 1-amino-2-chloro-4-hydroxy-
IUPAC: 1-amino-2-chloro-4-hydroxyanthracene-9,10-dione
English name: 1-Amino-2-chloro-4-hydroxy-9,10-anthracenedione
Molecular formula: C14H8ClNO3
Molecular weight: 273.67

Names & synonyms

2478-67-39,10-Anthracenedione, 1-amino-2-chloro-4-hydroxy-EINECS 219-611-0DTXSID7062455RefChem:548659DTXCID60371481-amino-2-chloro-4-hydroxyanthracene-9,10-dione1-Amino-2-chloro-4-hydroxyanthraquinone1-amino-2-chloro-4-hydroxy-9,10-dihydroanthracene-9,10-dioneSCHEMBL6055375BBL034717MFCD00082165

Show more names

2-chloro-4-hydroxy-1-Aminoanthraquinone1-Amino-2-chloro-4-hydroxy-9,10-anthraquinone1-amino-2-chloro-4-hydroxy-10-anthracenedione10-Anthracenedione,1-amino-2-chloro-4-hydroxy-91-Amino-2-chloro-4-hydroxy-9,10-anthracenedione1-azanyl-2-chloro-4-hydroxy-anthracene-9,10-dione

STL419935AKOS0159532731-amino-4-hydroxy-2-chloroanthraquinone1-amino-2-chloro-4 -hydroxyanthraquinoneVS-12646NS000277371-amino-4-hydroxy-2-chloro-9,10-anthraquinone1-amino-2-chloro-4-hydroxy-anthracene-9,10-dione

Database identifiers

CAS: 2478-67-3

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 80.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 413

Physicochemical properties

Melting point: 233 · 233-234 °C
Boiling point: 538.1 · 538.1±50.0 °C(Predicted)
Density: 1.593 · 1.593±0.06 g/cm3(Predicted)
pka: 6.41 · 6.41±0.20(Predicted)
EPA Substance Registry System: 9 · 9,10-Anthracenedione, 1-amino-2-chloro-4-hydroxy- (2478-67-3)
TSCA: TSCA listed