2-Phenylanthraquinone

HCID 313995CAS 6485-97-8

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Basic information

Standard SMILES: O=C1c2ccccc2C(=O)c2cc(-c3ccccc3)ccc21
InChIKey: NTZCFGZBDDCNHI-UHFFFAOYSA-N
Molecular formula: C20H12O2
Average molar mass: 284.3 g/mol
Monoisotopic mass: 284.08372962

Names & identifiers

Preferred name: 2-Phenylanthraquinone
IUPAC: 2-phenylanthracene-9,10-dione
English name: 2-Phenylanthra-9,10-quinone
Molecular formula: C20H12O2
Molecular weight: 284.31

Names & synonyms

2-PHENYLANTHRAQUINONE6485-97-8DTXSID70310683RefChem:1064158DTXCID302618092-phenylanthracene-9,10-dione2-Phenylanthra-9,10-quinone2-PHENYL-9,10-DIHYDROANTHRACENE-9,10-DIONEMFCD005592629, 2-phenyl-NSC230302SCHEMBL57813

Show more names

2-Phenyl-anthrachinon2-Phenylalanthraquinone2-Phenyl-9,10-anthraquinone2-Phenyl-9,10-anthracenedione9,10-Anthracenedione, 2-phenyl-

AKOS027263765NSC-230302SB66443AS-59250CS-0378270P2588T727722-phenylanthrachinon

Database identifiers

CAS: 6485-97-8
PubChem CID: 313995
DTXSID: DTXSID70310683
Nikkaji: J81.228E

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 449

Physicochemical properties

Melting point: 160 · 160-163°C
Boiling point: 506.8 · 506.8±40.0 °C(Predicted)
Density: 1.267 · 1.267±0.06 g/cm3(Predicted)
form: powder to crystal
color: White to Yellow to Green
λmax: 340 nm · 340nm(lit.)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
HS Code: 2914.69 · 2914.69.9000

Safety & regulation

Safety data

hs_code: 2914.69.9000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319
Precautionary statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330