1,8-Diamino-4,5-dihydroxyanthraquinone
Basic information
- CAS
128-94-9- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1c(N)ccc(O)c1C2=O- InChIKey
SJHHHHHQWQOCDQ-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.0640568
Names & identifiers
- Preferred name
- 1,8-Diamino-4,5-dihydroxyanthraquinone
- IUPAC
- 1,8-diamino-4,5-dihydroxyanthracene-9,10-dione
- English name
- 1 8-Diamino-4 5-dihydroxyanthraquinone
- Molecular formula
- C14H10N2O4
- Molecular weight
- 270.24
Names & synonyms
128-94-91,8-Diamino-4,5-dihydroxyanthraquinone1,8-Diaminochrysazine9,10-Anthracenedione, 1,8-diamino-4,5-dihydroxy-4,5-Diamino-1,8-dihydroxyanthraquinone1,8-Diamino-4,5-dihydroxy-9,10-anthracenedioneEINECS 204-921-0NSC 600141,8-Diamino-4,5-dihydroxy-9,10-anthraquinoneBRN 21545251,8-Dihydroxy-4,5-diaminoanthraquinone1,8-Diamino-4,5-dihydroxyanthrachinon [Czech]
Show more names
1,8-diamino-4,5-dihydroxyanthracene-9,10-dioneC.I.636004,5-diaminochrysazin4,5-DiaminochrysazineMitoxantrone Impurity 241,8-diamino-4,5-dihydroxy-anthraquinon
1,8-Dihydroxy-4,5-diaminoanthrachinon [Czech]1,8-Diamino-4,5-dihydroxyanthrachinon1,8-Dihydroxy-4,5-diaminoanthrachinonDTXSID90595913-14-00-00686 (Beilstein Handbook Reference)ANTHRAQUINONE, 1,8-DIAMINO-4,5-DIHYDROXY-4,5Diaminochrysazin1,8Diaminochrysazine
Database identifiers
- CAS
128-94-9- PubChem CID
- 31419
- DTXSID
DTXSID9059591- ChEMBL
CHEMBL89413- UNII
- WL7YZ59W94
- EC Number
- 204-921-0
- Nikkaji
- J52.245G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
Chemical ClassesDyes -> Anthraquinone Dyes
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300 °C (decomp)
- Boiling point
- 413.36 °C · 413.36°C (rough estimate)
- Density
- 1.2809 · 1.2809 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 6.34 · 6.34±0.20(Predicted)
- color
- Black
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,8-diamino-4,5-dihydroxy- (128-94-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.
Warning
H315 (90.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 1,8-diamino-4,5-dihydroxy-
Hazards SummaryA moderate eye irritant; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Disperse Blue 1.
Hazard Classes and CategoriesSkin Irrit. 2 (90.7%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,8-diamino-4,5-dihydroxy-: INACTIVE
Applications
Uses1,8-Diaminochrysazine is an intermediate in the synthesis of compounds used to disperse dye for synthetic polyester fibers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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