Basic information
- CAS
41312-86-1- Standard SMILES
Nc1c(Cl)c(OCCOc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
ZRPSVURUZDPMCA-UHFFFAOYSA-N- Molecular formula
- C22H17ClN2O4
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.0876847
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,4-diamino-2-chloro-3-(2-phenoxyethoxy)-
- IUPAC
- 1,4-diamino-2-chloro-3-(2-phenoxyethoxy)anthracene-9,10-dione
- English name
- 1,4-diamino-2-chloro-3-(2-phenoxyethoxy)anthraquinone
- Molecular formula
- C22H17ClN2O4
- Molecular weight
- 408.83
Names & synonyms
41312-86-19,10-Anthracenedione, 1,4-diamino-2-chloro-3-(2-phenoxyethoxy)-EINECS 255-309-5DTXSID4068298RefChem:548558DTXCID60398951,4-Diamino-2-chloro-3-(2-phenoxyethoxy)anthraquinone1,4-diamino-2-chloro-3-(2-phenoxyethoxy)anthracene-9,10-dione4WU8ACQ98VZRPSVURUZDPMCA-UHFFFAOYSA-N1,4-Diamino-2-chloro-3-(2-phenoxyethoxy)-9,10-anthracenedioneNS00030961
Database identifiers
- CAS
41312-86-1- PubChem CID
- 170490
- DTXSID
DTXSID4068298- UNII
- 4WU8ACQ98V
- EC Number
- 255-309-5
- Nikkaji
- J320.047G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 688.8 · 688.8±55.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 0.18 · 0.18±0.20(Predicted)
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,4-diamino-2-chloro-3-(2-phenoxyethoxy)- (41312-86-1)
- 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.
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 1,4-diamino-2-chloro-3-(2-phenoxyethoxy)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,4-diamino-2-chloro-3-(2-phenoxyethoxy)-: INACTIVE
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…