1,5-Diaminoanthrachinon

1,5-Diaminoanthraquinone

HCID 8513CAS 129-44-2

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Grundinformationen

Standard-SMILES: Nc1cccc2c1C(=O)c1cccc(N)c1C2=O
InChIKey: VWBVCOPVKXNMMZ-UHFFFAOYSA-N
Summenformel: C14H10N2O2
Durchschnittliche Molmasse: 238,24 g/mol
Monoisotopische Masse: 238,07422757

Namen und Bezeichner

Bevorzugter Name: 1,5-Diaminoanthraquinone
IUPAC: 1,5-diaminoanthracene-9,10-dione
Lokaler Name: 1,5-Diaminoanthrachinon
Englischer Name: 1,5-Diaminoanthraquinone
Summenformel: C14H10N2O2
Molmasse: 238.24

Namen und Synonyme

1,5-DIAMINOANTHRAQUINONE129-44-2Smoke Red F9,10-Anthracenedione, 1,5-diamino-C.I. Disperse Red II1,5-Diaminoanthrachinon1,5-Anthraquinonyldiamine1,5-Diamino-9,10-anthraquinone1,5-DaaAnthraquinone, 1,5-diamino-NSC-72133ZXX3HK358

Weitere Namen anzeigen

92.0%(N)smokeredfTIMTEC-BB SBB0007691,5-DIAMINOATHRAQUINONE,5-DIAMINOANTHRAQUINONE1,5-diamino-anthraquinon

NSC-63791NSC-507213RefChem:417178204-947-21,5-diaminoanthracene-9,10-dioneNSC 7213MFCD00001226NSC 63791

Datenbank-Bezeichner

CAS: 129-44-2
PubChem CID: 8513
DTXSID: DTXSID1059602
ChEMBL: CHEMBL90387
UNII: 3ZXX3HK358
EC Number: 204-947-2
Nikkaji: J2.267.365C、J3.625K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 86,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 18
Formalladung: 0
Komplexität: 346

Experimentelle und physikochemische Eigenschaften

Physical DescriptionRed odorless powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C (lit.)
Siedepunkt: 380.84 °C · 380.84°C (rough estimate)
Dichte: 1.1907 · 1.1907 (rough estimate)
Brechungsindex: 1.65 · 1.6500 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystaline
pka: -0.66 · -0.66±0.20(Predicted)
Farbe: Orange to Brown to Dark red
Wasserlöslichkeit: Insoluble in water.
InChI: InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2
InChIKey: VWBVCOPVKXNMMZ-UHFFFAOYSA-N
SMILES: C1(N)=C2C(C(=O)C3=C(C2=O)C=CC=C3N)=CC=C1
CAS Datenbank: 129 · 129-44-2(CAS DataBase Reference)
EPA chemische Informationen: 9 · 9,10-Anthracenedione, 1,5-diamino- (129-44-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-diamino-

Hazards SummaryA mild eye irritant; Causes liver, cardiac, and renal tubular changes in 10-day oral studies of rats; [RTECS] May cause eye irritation; [Alfa Aesar MSDS] See 1-Amino-2-methylanthraquinone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Regulatorische Informationen

Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-diamino-

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29147000
RTECS-Nr.: CB6400000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information9,10-Anthracenedione, 1,5-diamino-: ACTIVE

Anwendungen

Verwenden1,5-Diaminoanthraquinone (DAAQ) may be used in the preparation of vertical nanowire arrays. It may be used in the synthesis of poly(1,5-diaminoanthraquinone) (PDAA) particles, via chemically oxidative polymerization of DAAQ.