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

HCID 66477

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Basic information

CAS: 81-41-4
Standard SMILES: N#Cc1c(N)c2c(c(N)c1C#N)C(=O)c1ccccc1C2=O
InChIKey: QUZJFTXRXJQLBH-UHFFFAOYSA-N
Molecular formula: C16H8N4O2
Average molar mass: 288.26 g/mol
Monoisotopic mass: 288.0647255

Names & identifiers

Preferred name: 2,3-Anthracenedicarbonitrile, 1,4-diamino-9,10-dihydro-9,10-dioxo-
IUPAC: 1,4-diamino-9,10-dioxoanthracene-2,3-dicarbonitrile
English name: 1,4-DIAMINO-2,3-DICYANO-9,10-ANTHRAQUINONE
Molecular formula: C16H8N4O2
Molecular weight: 288.26

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 134 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 558

Physicochemical properties

Melting point: 300 ℃ · >300℃
CAS DataBase Reference: 81 · 81-41-4(CAS DataBase Reference)
FDA UNII: 4 JL5KDY5GT · 4JL5KDY5GT
EPA Substance Registry System: 2 · 2,3-Anthracenedicarbonitrile, 1,4-diamino-9,10-dihydro-9,10-dioxo- (81-41-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Risk Statements: 23 · 23/24/25
Safety Statements: 26 · 26-36/37/39
RIDADR: 3276 · 3276
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
ridadr: 3276
risk_code: 23/24/25
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302-H315-H319
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501