1,4-Diamino-9,10-dihydro-9,10-dioxoanthracen-2,3-dicarbonitril

2,3-Anthracenedicarbonitrile, 1,4-diamino-9,10-dihydro-9,10-dioxo-

HCID 66477CAS 81-41-4

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Grundinformationen

Standard-SMILES: N#Cc1c(N)c2c(c(N)c1C#N)C(=O)c1ccccc1C2=O
InChIKey: QUZJFTXRXJQLBH-UHFFFAOYSA-N
Summenformel: C16H8N4O2
Durchschnittliche Molmasse: 288,26 g/mol
Monoisotopische Masse: 288,0647255

Namen und Bezeichner

Bevorzugter Name: 2,3-Anthracenedicarbonitrile, 1,4-diamino-9,10-dihydro-9,10-dioxo-
IUPAC: 1,4-diamino-9,10-dioxoanthracene-2,3-dicarbonitrile
Lokaler Name: 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracen-2,3-dicarbonitril
Englischer Name: 1,4-DIAMINO-2,3-DICYANO-9,10-ANTHRAQUINONE
Summenformel: C16H8N4O2
Molmasse: 288.26

Namen und Synonyme

81-41-42,3-Anthracenedicarbonitrile, 1,4-diamino-9,10-dihydro-9,10-dioxo-EINECS 201-347-2DTXSID60588431,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile1,4-Diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenedicarbonitrileRefChem:441898DTXCID9048190201-347-21,4-Diamino-2,3-dicyano-9,10-anthraquinone1,4-Diamino-2,3-dicyanoanthraquinone1,4-diamino-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile

Weitere Namen anzeigen

90.0%(LC&2:3 DICYANO 1,4 DIAMINO AQdiaminodicyanoanthraquinone1,4-Diamino-2,3-dicyano-9,10-anthraquinone>1,4-DIAMINO-9,10-ANTHRAQUINONE-2,3-DICARBONITRILE1,4-Diamino-9,10-dioxo-2,3-anthracenedicarbonitrile1,4-diamino-9,10-diketo-anthracene-2,3-dicarbonitrile

1,4-diamino-9,10-dioxoanthracene-2,3-dicarbonitrileMFCD00053082C16H8N4O21,4-Diamino-9,10-anthraquinone-2,3-dicarbonitrile4JL5KDY5GTSCHEMBL1995922SCHEMBL30085023AKOS002528961

Datenbank-Bezeichner

CAS: 81-41-4
PubChem CID: 66477
DTXSID: DTXSID6058843
UNII: 4JL5KDY5GT
EC Number: 201-347-2
Nikkaji: J53.424B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 134 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 22
Formalladung: 0
Komplexität: 558

Physikochemische Eigenschaften

Schmelzpunkt: 300 ℃ · >300℃
CAS Datenbank: 81 · 81-41-4(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,3-Anthracenedicarbonitrile, 1,4-diamino-9,10-dihydro-9,10-dioxo- (81-41-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.