Grundinformationen
- CAS
131-14-6- Standard-SMILES
Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O- InChIKey
WQOWBWVMZPPPGX-UHFFFAOYSA-N- Summenformel
- C14H10N2O2
- Durchschnittliche Molmasse
- 238,24 g/mol
- Monoisotopische Masse
- 238,07422757
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Diaminoanthraquinone
- IUPAC
- 2,6-diaminoanthracene-9,10-dione
- Lokaler Name
- 2,6-Diaminoanthrachinon
- Englischer Name
- 2,6-Diaminoanthraquinone
- Summenformel
- C14H10N2O2
- Molmasse
- 238.24
Namen und Synonyme
2,6-Diaminoanthraquinone131-14-69,10-Anthracenedione, 2,6-diamino-2,6-Anthraquinonyldiamine2,6-Diamino-9,10-anthraquinoneANTHRAQUINONE, 2,6-DIAMINO-NSC-399353DY0EUZ2ZMDTXSID5059614RefChem:831192,6-DAAQ cpd2,6 diamino-anthraquinone
Weitere Namen anzeigen
2,6-DAAQ2,6-Diaminoanthracene2,6-diaminoanthra-9,10-quinone6-DiaMinoanthraquinone2,6-diamino-anthraquinon
DTXCID6034005205-013-72,6-diaminoanthracene-9,10-dione2,6-DiaminoanthrachinonMFCD00001234NSC 39935NSC39935Anthraquinone,6-diamino-
Datenbank-Bezeichner
- CAS
131-14-6- PubChem CID
- 8557
- DTXSID
DTXSID5059614- ChEMBL
CHEMBL90729- UNII
- 3DY0EUZ2ZM
- EC Number
- 205-013-7
- Nikkaji
- J2.943B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 86,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 346
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Anthraquinone Dyes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 325 °C · >325 °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,Inert atmosphere,Room temperature
- Löslichkeit
- insoluble in Chloroform
- Aggregatzustand
- powder to crystal
- pka
- 1.32 · 1.32±0.20(Predicted)
- Farbe
- Reddish-brown
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H,15-16H2
- InChIKey
- WQOWBWVMZPPPGX-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(=O)C3=C(C2=O)C=CC(N)=C3)=CC=C1N
- CAS Datenbank
- 131 · 131-14-6(CAS DataBase Reference)
- EPA chemische Informationen
- 9 · 9,10-Anthracenedione, 2,6-diamino- (131-14-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryA mild eye irritant; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1,5-Diaminoanthraquinone.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29223990
- RTECS-Nr.
- CB6450000
- risk_code
- 36/37/38
- Toxizität
- eye-rbt 500 mg/24H MLD 28ZPAK -,122,72
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information9,10-Anthracenedione, 2,6-diamino-: ACTIVE
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