Compound: ANTHRAQUINONE
SMILES: O=C1c2c(C(=O)c3c1cccc3)cccc2
InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N
Synonyms: ANTHRAQUINONE, 84-65-1, anthracene-9,10-dione, 9,10-Anthraquinone, 9,10-Anthracenedione, Anthradione, Hoelite, Morkit, 9,10-Dioxoanthracene, Corbit, Anthrapel, 9,10-Anthrachinon, Avipel, Kawasaki saq, DTXSID3020095, Anthracene, 9,10-dihydro-9,10-dioxo-, 030MS0JBDO, EPA Pesticide Chemical Code 122701, FLIGHT CONTROL, CHEBI:40448, NSC-7957, DTXCID9095, NSC7957, Anthranoid, Anthranoids, Anthraquinones, Dianthraquinones, Anthraquinone Analogue, Anthraquinone Compound, Compound, Anthraquinone, RefChem:5557, Derivative, Anthraquinone, CHEBI:22580, DTXSID501025892, 201-549-0, Anthraquinone Derivative, Anthra-9,10-quinone, 9,10-quinone, Az-Q, Anthrachinon, NSC 7957, 9,10-dihydroanthracene-9,10-dione, MFCD00001188, CHEMBL55659, NCGC00094960-03, Anthraquinone 100 microg/mL in Acetonitrile, Caswell No. 052A, 1,4-bis-[2-(2-hydroxy-ethylamino)-ethylamino]-anthraquinone, Anthraquinone [BSI:ISO], CAS-84-65-1, 71730-08-0, 9,10-Anthrachinon [Czech], CCRIS 649, HSDB 2074, EINECS 201-549-0, Anthracene-9,10-quinone, UNII-030MS0JBDO, AI3-09073, 9,10-Anthracendion, 9,10-Anthraguinone, Anthraquinone, 97%, Anthraquinone (NIST), Spectrum_001527, SpecPlus_000645, Anthraquinone (Standard), Spectrum2_000405, Spectrum3_001501, Spectrum4_000907, Spectrum5_001897, an anthraquinone derivative, ANTHRAQUINONE [MI], Anthra-9,10-quinone #, Epitope ID:116191, ANTHRAQUINONE [ISO], EC 201-549-0, ANTHRAQUINONE [HSDB], ANTHRAQUINONE [IARC], SCHEMBL14943, SCHEMBL56824, BSPBio_003141, KBioGR_001374, KBioSS_002007, DivK1c_006741, SCHEMBL136078, SCHEMBL167625, SPECTRUM1502103, SPBio_000330, orb1297636, orb3139299, SCHEMBL3673942, SCHEMBL4861795, SCHEMBL6003309, SCHEMBL7148476, SCHEMBL7866126, SCHEMBL9366483, SCHEMBL14874534, SCHEMBL15602674, SCHEMBL29358690, HY-N0354R, KBio1_001685, KBio2_002007, KBio2_004575, KBio2_007143, KBio3_002641, MSK4320, Anthraquinone, analytical standard, HMS1921J14, HY-N0354, Tox21_111369, BDBM50094892, CCG-39966, EBC-00576, s5168, SBB060613, STK398385, Anthracene,10-dihydro-9,10-dioxo-, AKOS000282964, Tox21_111369_1, DS-4810, NCGC00094960-01, NCGC00094960-02, NCGC00094960-04, NCGC00094960-06, NCGC00094960-07, AC-12719, DB-005409, A0502, CS-0008907, NS00010810, ST50410412, Anthraquinone, Vetec(TM) reagent grade, 97%, EN300-71612, A-8000, Anthraquinone, PESTANAL(R), analytical standard, AB-131/40003277, F242930, Q423174, SR-01000944707, SR-01000944707-1, BRD-K15957397-001-03-4, BRD-K15957397-001-04-2, Melting point standard 283-286C, analytical standard, F0001-2133, Z1142688857, 9,10-anthraquinone;9,10-anthracenedione;anthraquinone;anthracene-9,10-dione;9,10-anthraquinone 9,10-anthracenedione anthraquinone anthracene-9,10-dione, 9TA, InChI=1/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8
Theoretical properties:
molecular_formula: C14H8O2
molecular_weight: 208.21 g/mol
exact_mass: 208.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 16
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Light yellow, slender monoclinic prisms by sublimation in vacuo.  Almost colorless, orthorhombic, bipyramidal crystals from sulfuric acid and water.
color: Light yellow, slender monoclinic prisms by sublimation in vacuo.  Almost colorless, orthorhombic, bipyramidal crystals from sulfuric acid and water.
odor: Aromatic odor (technical)
boiling_point: 714 to 718 °F at 760 mmHg (NTP, 1992)
melting_point: 547 °F (sublimes) (NTP, 1992)
density: 1.438 at 68 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 73 °F (NTP, 1992)
flash_point: 365 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 374 °F (NTP, 1992)
Descriptions:
pubchem: Anthraquinone can cause cancer according to The National Toxicology Program.
chebi: An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.
chembl: ANTHRAQUINONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Anthraquinone, also called anthracenedione or dioxoanthracene, is an aromatic organic compound with formula C14H8O2. Several isomers exist but these terms usually refer to 9,10-anthraquinone (IUPAC: 9,10-dioxoanthracene) wherein the keto groups are located on the central ring. It is used as a digester additive to wood pulp for papermaking. Many anthraquinone derivatives are generated by organisms or synthesised industrially for use as dyes, pharmaceuticals, and catalysts. Anthraquinone is a yellow, highly crystalline solid, poorly soluble in water but soluble in hot organic solvents. It is almost completely insoluble in ethanol near room temperature but 2.25 g will dissolve in 100 g of boiling ethanol. It is found in nature as the rare mineral hoelite.