Compound: Quinizarin
SMILES: O=C1c2c(C(=O)c3c1cccc3)c(O)ccc2O
InChIKey: GUEIZVNYDFNHJU-UHFFFAOYSA-N
Synonyms: Quinizarin, 1,4-Dihydroxyanthraquinone, 81-64-1, 1,4-dihydroxyanthracene-9,10-dione, Quinizarine, Chinizarin, Solvent Orange 86, Smoke Orange R, 1,4-Dihydroxyanthrachinon, Macrolex Orange GG, 1,4-Dihydroxy-9,10-anthraquinone, 9,10-Anthracenedione, 1,4-dihydroxy-, Anthraquinone, 1,4-dihydroxy-, 1,4-Dioxyanthraquinone, 1,4-Doa, 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE, C.I. 58050, 8S496ZV3CS, CI 58050, DTXSID8044464, NSC-15367, NSC-646569, DTXCID6024464, CHEBI:37487, RefChem:45861, 201-368-7, 103220-12-8, 1,4-Dihydroxyanthra-9,10-quinone, NSC 15367, NSC 646569, MFCD00001209, CHEMBL17594, 1,4-dihydroxy-9,10-dihydroanthracene-9,10-dione, NSC646569, 9, 1,4-dihydroxy-, 1,4-Doa [Russian], WLN: L C666 BV IVJ DQ GQ, CCRIS 3524, HSDB 5242, 1,4-Dioxyanthraquinone [Russian], 1,4-Dihydroxyanthrachinon [Czech], EINECS 201-368-7, C.I.Solvent Orange 86, UNII-8S496ZV3CS, AI3-17616, 1,4-Dihydroxy-9,10-anthraquinone; 1,4-Dihydroxyanthraquinone; Smoke Orange R; Quinizarine, 4,9-dihydroxy-1,10-anthraquinone, 9,10-Dihydroxy-1,4-anthraquinone, Quinizarin, 96%, Solvent Orange  86, QUINIZARIN [MI], EC 201-368-7, SCHEMBL160038, MEGxp0_001867, orb1297222, SCHEMBL2639287, SCHEMBL29385801, ACon1_000101, HY-D0226, NSC15367, NSC40899, Tox21_302041, BBL010354, BDBM50240382, CCG-48149, NSC-40899, NSC229036, SBB069501, STK264108, DIHYDROXYANTHRAQUINONE, 1,4-, 1,4-dihydroxy-anthracene-9,10-dione, AKOS001595052, 1,4-Dihydroxy-9,10-anthracene-dione, 1,4-Dihydroxyanthra-9,10-quinone #, 9,10-Anthraquinone, 1,4-dihydroxy-, EBC-459075, FD39689, NSC-229036, CAS-81-64-1, NCGC00160196-01, NCGC00160196-02, NCGC00255951-01, AC-11267, AS-14244, DA-57310, NCI60_001089, CS-0010138, D0243, NS00003772, ST50330576, F87345, EN300-6486266, AE-641/02529036, F130900, Q906609, SR-01000108129, 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE [HSDB], doi:10.14272/GUEIZVNYDFNHJU-UHFFFAOYSA-N.1, SR-01000108129-1, SR-01000637713-1, F1565-0160, 1,4-Dihydroxyanthraquinone, purum, >=98.0% (HPLC), powder, red-brown, InChI=1/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16
Theoretical properties:
molecular_formula: C14H8O4
molecular_weight: 240.21 g/mol
exact_mass: 240.04225873 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 0
heavy_atom_count: 18
topological_polar_surface_area: 74.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: ORANGE CRYSTALS FROM ACETIC ACID; ORANGE PLATES FROM ETHER; DEEP RED NEEDLES FROM ALCOHOL, BENZENE, TOLUENE, XYLENE
color: ORANGE CRYSTALS FROM ACETIC ACID; ORANGE PLATES FROM ETHER; DEEP RED NEEDLES FROM ALCOHOL, BENZENE, TOLUENE, XYLENE
melting_point: 196 °C
solubility: MODERATELY SOL IN ALCOHOL WITH RED COLOR
flash_point: 222 °C
vapor_pressure: 0.00000002 [mmHg]
Descriptions:
pubchem: Quinizarin is a dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups. It has a role as a dye.
chebi: A dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups
chembl: QUINIZARIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1,4-Dihydroxyanthraquinone, also called quinizarin or Solvent Orange 86, is an organic compound derived from anthroquinone. Quinizarin is an orange or red-brown crystalline powder. It is formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxyl (OH) groups. It is one of ten dihydroxyanthraquinone isomers and occurs in small amounts (as a glycoside) in the root of the madder plant, Rubia tinctorum.