Compound: 1,4-NAPHTHOQUINONE
SMILES: O=C1c2c(C(=O)C=C1)cccc2
InChIKey: FRASJONUBLZVQX-UHFFFAOYSA-N
Synonyms: 1,4-NAPHTHOQUINONE, 130-15-4, naphthalene-1,4-dione, 1,4-Naphthalenedione, NAPHTHOQUINONE, p-Naphthoquinone, alpha-Naphthoquinone, 1,4-Naphthylquinone, 1,4-Dihydro-1,4-diketonaphthalene, USAF CY-10, 1,4-dihydronaphthalene-1,4-dione, DTXSID5040704, RBF5ZU7R7K, CHEBI:27418, NSC-9583, DTXCID3020704, RefChem:73366, CHEBI:25481, 204-977-6, 1,4-Naftochinon, RCRA waste number U166, 1,4-Naphthaquinone, .alpha.-Naphthoquinone, NSC 9583, MFCD00001676, CHEMBL55934, NQ-1, NSC9583, a-naphthoquinone, 1,4-Naftochinon [Czech], 1,4 naphthoquinone, CCRIS 5424, HSDB 2037, Naphthoquinone, 1,4-, EINECS 204-977-6, UNII-RBF5ZU7R7K, RCRA waste no. U166, napthoquinone, AI3-24292, naphthalene-1, Naphthoquinone #, 1,4naphtaquinone, 1,4-naphtoquinone, 1,4-naphthochinone, Dapoxetine Impurity R, 1,4-diketonaphthalene, 1,4-naphthalene-dione, Dithianon metabolite NQ, Spectrum2_000481, Spectrum3_000754, Spectrum4_001245, 1,4-naphtho-quinone, 3, Epitope ID:613399, WLN: L66 BV EVJ, SCHEMBL42139, 1,4-Naphthoquinone, 97%, BSPBio_002368, KBioGR_001770, MLS000069814, SCHEMBL223194, SPBio_000341, orb1300113, SCHEMBL1287129, SCHEMBL7400922, SCHEMBL11359780, SCHEMBL29354680, BDBM24776, KBio3_001588, 1,4-NAPHTHOQUINONE [MI], HMS6018I03, 1,4-NAPHTHOQUINONE [HSDB], MSK21451, Tox21_303967, CCG-39519, EBC-47347, s9342, SBB058659, STL146359, AKOS004907201, AKOS025243281, CS-W016206, FN03395, FS-2704, HY-W015490, NCGC00164067-01, NCGC00164067-02, NCGC00357275-01, AC-34538, CAS-130-15-4, SMR000059173, DB-005069, N0040, NS00014590, ST51036980, EN300-21246, C02617, D70977, 1,4-Naphthoquinone, purum, >=96.5% (HPLC), Q161542, Z104494806, 1,4-Naphthoquinone, 97% (dry wt.), cont. up to 5% water, InChI=1/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6
Theoretical properties:
molecular_formula: C10H6O2
molecular_weight: 158.15 g/mol
exact_mass: 158.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 12
topological_polar_surface_area: 34.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow triclinic needles from alcohol or petroleum ether
color: Yellow triclinic needles from alcohol or petroleum ether
odor: Odor like that of benzoquinone
boiling_point: Sublimes below 212 °F (NTP, 1992)
melting_point: 277 °F (NTP, 1992)
density: 1.422 (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 70 °F (NTP, 1992)
vapor_pressure: 0.00018 [mmHg]
Descriptions:
pubchem: 1,4-naphthoquinone is the parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. It derives from a hydride of a naphthalene.
chebi: The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.
chembl: NAPHTHOQUINONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1,4-Naphthoquinone or para-naphthoquinone is a quinone derived from naphthalene.  It forms volatile yellow triclinic crystals and has a sharp odor similar to benzoquinone.  It  is almost insoluble in cold water, slightly soluble in petroleum ether, and more soluble in polar organic solvents.  In alkaline solutions it produces a reddish-brown color.
Natural vitamin K is a derivative of 1,4-naphthoquinone.  It is a planar molecule with one aromatic ring fused to a quinone subunit. 1,4-naphathoquinone itself has some vitamin K activity.
It is an isomer of 1,2-naphthoquinone.