CAS 1709-63-3 1,4,9,10-Anthradiquinone (HCID 137169)

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Basic information

CAS: 1709-63-3
Standard SMILES: O=c1ccc(=O)c2c(=O)c3ccccc3c(=O)c1=2
InChIKey: KNCZUXHSQJQWIB-UHFFFAOYSA-N
Molecular formula: C14H6O4
Average molar mass: 238.19 g/mol
Monoisotopic mass: 238.02660867

Overview

structure in first source

Names & identifiers

Preferred name: 1,4,9,10-Anthradiquinone
IUPAC: anthracene-1,4,9,10-tetrone
English name: 1,4,9,10-Anthracenetetrone
Molecular formula: C14H6O4
Molecular weight: 238.2

Names & synonyms

1,4,9,10-anthradiquinoneRefChem:9069391,4,9,10-Anthracenetetrone1709-63-3anthracene-1,4,9,10-tetroneAnthracene-1,4,9,10-tetraoneQuinizarinquinoneAnthradichinonNSC1741281,9,10-Anthracenetetrone1,4,9,10 anthradiquinoneSCHEMBL3275756

Show more names

1,4,9,10-ANTHRACENETETRAONE

CHEMBL20053131,4,9,10-TETRAHYDROANTHRACENE-1,4,9,10-TETRONEDTXSID10937853KNCZUXHSQJQWIB-UHFFFAOYSA-NAKOS022506840NSC 174128NSC-174128NCI60_001417

Database identifiers

CAS: 1709-63-3
PubChem CID: 137169
DTXSID: DTXSID10937853
ChEMBL: CHEMBL2005313
Nikkaji: J13.031A

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 68.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 502

Physicochemical properties

Melting point: 185 °C · 185 °C (sublm)
Boiling point: 421.3 · 421.3±45.0 °C(Predicted)
Density: 1.5 · 1.50±0.1 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362