2,3-Dihydroxynaphthalene
Product Information
Molecular Formula
C10H8O2
Molecular Weight
160.17
Description
2,3-Dihydroxynaphthalene (CAS# 92-44-4) is a metabolite of Acetochlor (A162500), which is a chloroacetanilide related herbicide that inhibits elongase and geranylgeranyl pyrophosphate (GGPP) cyclization enzymes. Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
Synonyms
naphthalene-2,3-diol
IUPAC Name
naphthalene-2,3-diol
SMILES
C1=CC=C2C=C(C(=CC2=C1)O)O
InChI
InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H
InChI Key
JRNGUTKWMSBIBF-UHFFFAOYSA-N
Boiling Point
354 °C
Melting Point
162-166 °C
Purity
95 %
Density
1.12 g/cm3
Appearance
Off white to grey powder
Storage
Store in a cool, dry place. Store in a tightly closed container.
LogP
2.25100
Vapor Pressure
0.00000715 [mmHg]
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
2.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
160.052429494 g/mol
Monoisotopic Mass
160.052429494 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
140
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022043266-A | Magnetic tapes, magnetic tape cartridges and magnetic tape devices | 2021-12-28 |
| JP-2022043267-A | Magnetic tapes, magnetic tape cartridges and magnetic tape devices | 2021-12-28 |
| CN-113980638-A | UV pressure-sensitive delayed curing adhesive and preparation method and application thereof | 2021-11-11 |
| CN-113845775-A | Preparation method of hyperbranched polymer modified boron nitride heat-conducting and insulating composite material | 2021-11-08 |
| CN-113637153-A | Multi-block polyether type high-molecular surfactant and preparation method and application thereof | 2021-10-18 |
| CN-113637154-A | Nonionic polyether type high-molecular surfactant and preparation method and application thereof | 2021-10-18 |
| CN-113637155-A | Anionic polyether type high-molecular surfactant and preparation method thereof | 2021-10-18 |
| CN-113461932-A | Preparation method of polyaryletherketone | 2021-07-29 |
| CN-113527660-A | Preparation of artificial fungus black material and antioxidation application | 2021-07-09 |
| CN-113683771-A | Preparation of artificial fungus black material and application of ultraviolet protection | 2021-07-09 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 29094189 | 2018-02-01 | Comparative developmental toxicity of a comprehensive suite of polycyclic aromatic hydrocarbons | Archives of toxicology |
| 23684558 | 2013-09-01 | Comparative developmental toxicity of environmentally relevant oxygenated PAHs | Toxicology and applied pharmacology |
| 22691976 | 2012-07-28 | The syntheses and characterizations of molybdenum(VI) complexes with catechol and 2,3-dihydroxynaphthalene, and the structure-effect relationship in their in vitro anticancer activities | Dalton transactions (Cambridge, England : 2003) |
| 23016299 | 2012-06-01 | [Simultaneous determination of seven naphthalenediols in cosmetics by reversed-phase high performance liquid chromatography] | Se pu = Chinese journal of chromatography |
| 22465938 | 2012-05-14 | A novel 'pro-sensitizer' based sensing of enzymes using Tb(III) luminescence in a hydrogel matrix | Chemical communications (Cambridge, England) |
| 22310856 | 2012-03-07 | Surface modification of anatase nanoparticles with fused ring catecholate type ligands: a combined DFT and experimental study of optical properties | Nanoscale |
| 22689422 | 2012-01-01 | Condensation of 2-naphthol and naphthalenediols with o-dichlorobenzene in the presence of aluminum halides | Chemical & pharmaceutical bulletin |
| 21943712 | 2011-12-01 | Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 21708415 | 2011-09-01 | Toward potent α-glucosidase inhibitors based on xanthones: a closer look into the structure-activity correlations | European journal of medicinal chemistry |
| 21836943 | 2011-07-01 | (Naphthalene-2,3-diolato-κO,O')[tris-(2-pyridyl-meth-yl)amine-κN]cobalt(III) hexa-fluoridophosphate hemihydrate | Acta crystallographica. Section E, Structure reports online |
