1-Amino-4-hydroxyanthraquinone

HCID 8323CAS 116-85-8

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Grundinformationen

Standard-SMILES: Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O
InChIKey: AQXYVFBSOOBBQV-UHFFFAOYSA-N
Summenformel: C14H9NO3
Durchschnittliche Molmasse: 239,23 g/mol
Monoisotopische Masse: 239,05824315

Namen und Bezeichner

Bevorzugter Name: 1-Amino-4-hydroxyanthraquinone
IUPAC: 1-amino-4-hydroxyanthracene-9,10-dione
Englischer Name: Celliton Fast Pink B
Summenformel: C14H9NO3
Molmasse: 239.23

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

CAS: 116-85-8
PubChem CID: 8323
DTXSID: DTXSID1059440
ChEMBL: CHEMBL88326
UNII: 15FG1M8OP9
EC Number: 204-163-0
Nikkaji: J2.903C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 80,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 18
Formalladung: 0
Komplexität: 381

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Anthraquinone Dyes

CosmeticsHair dyeing

SpringerMaterials PropertiesBoiling point

LogP1.8

Physical DescriptionPowder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 207 · 207-209 °C
Siedepunkt: 381.88 °C · 381.88°C (rough estimate)
Dichte: 1.2326 · 1.2326 (rough estimate)
Brechungsindex: 1.47 · 1.4700 (estimate)
pka: 7.38 · 7.38±0.20(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Deep purple to dark brown
Wasserlöslichkeit: Soluble in water, ethanol, acetone, benzene.
Henry's Law Constant: 3.8 · 3.8×105 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Kosmetik-Inhaltsstoffe Funktionen: HAIR DYEING
CAS Datenbank: 116 · 116-85-8(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Hydroxy-4-aminoanthraquinone(116-85-8)
EPA chemische Informationen: 9 · 9,10-Anthracenedione, 1-amino-4-hydroxy- (116-85-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 29225000
RTECS-Nr.: CB5600000
risk_code: 68-65-40-33
Toxizität: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00428,
hazard_code: Xn
safety_code: 36/37-24/25

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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

Anwendungen · 1 Eintrag

VerwendenThe 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.