Compound: p-benzoquinone
SMILES: O=C1C=CC(=O)C=C1
InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N
Synonyms: p-benzoquinone, 1,4-BENZOQUINONE, Benzoquinone, Quinone, 106-51-4, p-Quinone, cyclohexa-2,5-diene-1,4-dione, para-Benzoquinone, Chinone, 2,5-Cyclohexadiene-1,4-dione, para-Quinone, Cyclohexadienedione, 1,4-Benzoquine, 1,4-Cyclohexadienedione, Steara pbq, 1,4-Dioxybenzene, Benzo-chinon, p-Chinon, Benzo-1,4-quinone, Chinon, 1,4-Diossibenzene, 1,4-Dioxy-benzol, 1,4-Cyclohexadiene dioxide, USAF P-220, RCRA waste number U197, NCI-C55845, parabenzochinon, DTXSID6020145, NSC-36324, EPA Pesticide Chemical Code 059805, CHEBI:16509, 3T006GV98U, NSC36324, DTXCID40145, benzochinon, RefChem:178329, PBQ 2, CHEBI:36141, CHEBI:39439, 203-405-2, 946-235-0, Semiquinone anion, semiquinone radicals, MFCD00001591, Cyclohexadiene-1,4-dione, NSC 36324, [1,4]benzoquinone, C6H4O2, Quinone1,4-Benzoquinone, CHEMBL8320, 3225-29-4, 1,4-Benzoquinone, 99%, p-Chinon [German], Benzo-chinon [German], Caswell No. 719C, 1,4-Benzoquinone; SKF-21232, Chinon [Dutch, German], 1,4 benzoquinone, CAS-106-51-4, 1,4-Dioxy-benzol [German], CCRIS 933, 1,4-Diossibenzene [Italian], HSDB 1111, EINECS 203-405-2, UN2587, RCRA waste no. U197, UNII-3T006GV98U, p-benzo-quinone, AI3-09068, 1,4-Benzochinon, Quinone; p-BQ, 2,4-dione, p-BQ, Benzo-1,4-quinone #, QUINONE [MI], Lopac-B-1266, 1,4-Cyclohexanedienedione, QUINONE [WHO-DD], Benzoquinone [UN2587], Epitope ID:116219, WLN: L6V DVJ, Chinon(DUTCH, GERMAN), EC 203-405-2, cid_4650, PARA-QUINONE [IARC], Lopac0_000120, SCHEMBL18103, MLS002454445, orb320460, GTPL6307, orb2893600, orb3139098, SCHEMBL1133284, SCHEMBL3208089, SCHEMBL7866124, SCHEMBL7890577, SCHEMBL7890579, 2,5-cyclohexadiene-1-4-dione, BDBM22774, 1,4-BENZOQUINONE [HSDB], HMS2230N13, HMS3260G22, 1,4-BENZOQUINONE [USP-RS], Tox21_202020, Tox21_302970, Tox21_500120, BBL010327, Benzoquinone [UN2587]  [Poison], c0261, EBC-00525, MSK002106, SBB058657, STK398389, AKOS000119965, AKOS025243267, CCG-204215, FB01020, LP00120, SDCCGSBI-0050108.P002, UN 2587, 2,5-CYCLOHEXANDIEN-1,4-DIONE, p-Benzoquinone, reagent grade, >=98%, NCGC00015139-01, NCGC00015139-02, NCGC00015139-03, NCGC00015139-04, NCGC00015139-05, NCGC00015139-06, NCGC00015139-07, NCGC00015139-10, NCGC00091053-01, NCGC00091053-02, NCGC00091053-03, NCGC00256505-01, NCGC00259569-01, NCGC00260805-01, SMR000326659, VS-02448, DS-000613, B0089, B0887, EU-0100120, NS00003185, ST51036952, EN300-19699, B 1266, C00472, 2,5-Cyclohexadiene-1,4-dione, radical ion(1-), F094629, Q402719, SR-01000075705, SR-01000075705-1, Z104474802, InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4, 1,4-Benzoquinone, pharmaceutical secondary standard; traceable to USP, 1,4-Benzoquinone, United States Pharmacopeia (USP) Reference Standard, cyclohexa-2,5-diene-1,4-dione; QUINONE RING OF THE PLASTOQUINONE 9, 1,4-Benzoquinone, Pharmaceutical Secondary Standard; Certified Reference Material, 1,4-Benzoquinone;2,5-Cyclohexadiene-1,4-dione; Quinone; 2,5-Cyclohexadiene-1,4-dione
Theoretical properties:
molecular_formula: C6H4O2
molecular_weight: 108.09 g/mol
exact_mass: 108.021129366 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: YELLOW MONOCLINIC PRISMS FROM WATER OR PETROLEUM ETHER
color: YELLOW MONOCLINIC PRISMS FROM WATER OR PETROLEUM ETHER
odor: PENETRATING ODOR RESEMBLING THAT OF CHLORINE
boiling_point: SUBLIMES (NTP, 1992)
melting_point: 240.3 °F (NTP, 1992)
density: 1.318 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: Slightly soluble (NTP, 1992)
flash_point: 559 °F (NTP, 1992)
vapor_pressure: 0.1 mmHg at 77 °F (NIOSH, 2024)
Descriptions:
pubchem: 1,4-benzoquinone is the simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene. It has a role as a cofactor, a mouse metabolite and a human xenobiotic metabolite.
chebi: The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.
chembl: BENZOQUINONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1,4-Benzoquinone, commonly known as para-quinone, is a chemical compound with the formula C6H4O2. In a pure state, it forms bright-yellow crystals with a characteristic irritating odor, resembling that of chlorine, bleach, and hot plastic or formaldehyde. This six-membered ring compound is the oxidized derivative of 1,4-hydroquinone. The molecule is multifunctional: it exhibits properties of a ketone, being able to form oximes; an oxidant, forming the dihydroxy derivative; and an alkene, undergoing addition reactions, especially those typical for α,β-unsaturated ketones. 1,4-Benzoquinone is sensitive toward both strong mineral acids and alkali, which cause condensation and decomposition of the compound.