1,2-Dihydroxynaphthalene
Basic information
- CAS
574-00-5- Standard SMILES
Oc1ccc2ccccc2c1O- InChIKey
NXPPAOGUKPJVDI-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Overview
Naphthalene-1,2-diol is a naphthalenediol. It has a role as a mouse metabolite.
Names & identifiers
- Preferred name
- 1,2-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,2-diol
- English name
- 1,2-Dihydroxynaphthalene
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
Naphthalene-1,2-diol1,2-DIHYDROXYNAPHTHALENE574-00-51,2-Naphthalenediolbeta-Naphthohydroquinone1,2-naphthohydroquinoneCHEBI:17435DTXSID30205985NSC-4016092R5017T335RefChem:164604DTXCID60128476
Show more names
1,2-Dihydroxynaphthalene>naphthalene-1,2-diol hydrate1,2-DIHYDROXYNAPHTHALENE, TECH.1,2-Dihydroxynaphthalene technical grade
209-365-2dihydroxynaphthaleneMFCD00003959CHEMBL2045431-Hydroxy-2-naphthol1,2-Naphthalenediol; 1,2-Naphthoquinol; 1-Hydroxy-2-naphthol; NSC 401609UNII-2R5017T335EINECS 209-365-2
Database identifiers
- CAS
574-00-5- PubChem CID
- 11318
- DTXSID
DTXSID30205985- ChEMBL
CHEMBL204543- ChEBI
CHEBI:17435- UNII
- 2R5017T335
- EC Number
- 209-365-2
- Nikkaji
- J135.090K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesLuminescence
Physicochemical properties
- Melting point
- 101 · 101-103 °C (lit.)
- Boiling point
- 246.06 °C · 246.06°C (rough estimate)
- Density
- 1.0924 · 1.0924 (rough estimate)
- refractive index
- 1.5178 · 1.5178 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.42 · 8.42±0.50(Predicted)
- color
- Dark Brown
- InChI
- 1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
- InChIKey
- NXPPAOGUKPJVDI-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,2-Dihydroxynaphthalene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2906290090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Pharmacology
Metabolism/MetabolitesDihydrodiol is a known human metabolite of naphthalene.
Cellular LocationsMembrane
Applications
Uses1,2-Dihydroxynaphthalene was used as substrate to investigate the rate of oxygen consumption by washed cell suspensions of Corynebacterium sp. strain C125 grown on o-xylene, tetralin or succinate.
General Description1,2-Dihydroxynaphthalene is the most sensitive biomarker for an internal exposure to naphthalene in humans.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Naphthalene-1,2-diol is a naphthalenediol. It has a role as a mouse metabolite.
Suppliers
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Related reactions
5 records
Compound notes
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