1-Amino-4-hydroxyanthraquinone
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Basic information
- CAS
116-85-8- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
AQXYVFBSOOBBQV-UHFFFAOYSA-N- Molecular formula
- C14H9NO3
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.05824315
Names & identifiers
- Preferred name
- 1-Amino-4-hydroxyanthraquinone
- IUPAC
- 1-amino-4-hydroxyanthracene-9,10-dione
- English name
- Celliton Fast Pink B
- Molecular formula
- C14H9NO3
- Molecular weight
- 239.23
Names & synonyms
1-AMINO-4-HYDROXYANTHRAQUINONE116-85-8Disperse Red 15Calcosyn Pink BC.I. Disperse Red 15Celutate Pink BNCelutate Pink BNacelan Pink BAmacel Pink BCelutate Pink BYDisperse Red 2SSetacyl Pink 3B
Show more names
param1a-4oaNSC1485NSC 1485NSC-1485SRArotVIIc.i.60710C.I. 60710
Artisil Red 3BPCibacet Red 3BPara MAcetate Fast Red 2BNeosetile Pink BNPerliton Pink 3BMicrosetile Pink BNCilla Fast Pink BN
Database identifiers
- CAS
116-85-8- PubChem CID
- 8323
- DTXSID
DTXSID1059440- ChEMBL
CHEMBL88326- UNII
- 15FG1M8OP9
- EC Number
- 204-163-0
- Nikkaji
- J2.903C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
Chemical ClassesDyes -> Anthraquinone Dyes
CosmeticsHair dyeing
SpringerMaterials PropertiesBoiling point
LogP1.8
Physical DescriptionPowder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 207 · 207-209 °C
- Boiling point
- 381.88 °C · 381.88°C (rough estimate)
- Density
- 1.2326 · 1.2326 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- pka
- 7.38 · 7.38±0.20(Predicted)
- form
- Crystalline Powder
- color
- Deep purple to dark brown
- Water Solubility
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
Warning
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 1-amino-4-hydroxy-
Other Safety InformationIMAP assessments - 9,10-Anthracenedione, 1-amino-4-hydroxy-: Environment tier I assessment
Hazards SummaryMay cause irreversible effects; Suspected to cause genetic defects; An irritant; [Alfa Aesar MSDS] See 1,4-Diaminoanthraquinone.
Hazard Classes and CategoriesMuta. 2 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- CB5600000
- hs_code
- 29225000
- Toxicity
- mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00428,
- risk_code
- 68-65-40-33
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 36/37-24/25
- Hazard statements
- H341
Chemistry & industry
Uses & manufacturing
Uses
Found as an impurity in Disperse Violet 1 (CAS# 128-95-0), which is used as a hair dye; [ExPub: EC]
Dressing Hair [Category: Other]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4-hydroxy-: ACTIVE
Applications
UsesThe use of the inclusion complex of 1-amino-4-hydroxyanthraquinone (AHA) in the internal cavity of β-cyclodextrin confers increased sensitivity, selectivity and detection limit, and allows the determination of 10-70 ng ml-1 beryllium, compared to 60-500 ng ml-1 in the absence of the cyclodextrin.
Upstream & downstream products
Downstream products
Related reactions
13 records
Compound notes
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