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
Canonical 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 ℃
Melting Point
162-166 ℃
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.
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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