1,5-Dihydroxynaphthalene
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Basic information
- CAS
83-56-7- Standard SMILES
Oc1cccc2c(O)cccc12- InChIKey
BOKGTLAJQHTOKE-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Overview
1,5-naphthalenediol has been reported in Sanicula lamelligera and Magnolia liliiflora with data available.
Names & identifiers
- Preferred name
- 1,5-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,5-diol
- English name
- 1,5-Dihydroxy naphthalene
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
1,5-DIHYDROXYNAPHTHALENE83-56-71,5-NaphthalenediolDurafur Developer EOxidation BaseCI 76625C.I. 76625DTXSID2052574P25HC23VH6NSC-7202DTXCID9031147RefChem:73484
Show more names
c.i.76625oxidationbasedurafurdevelopere
201-487-4naphthalene-1,5-diol1,5-Dihydroxy naphthalene1,5-Dihydroxynapthalene1,5-dihydroxynaphtaleneMFCD00003980napht1,5-Naphthalindiol
Database identifiers
- CAS
83-56-7- PubChem CID
- 6749
- DTXSID
DTXSID2052574- ChEMBL
CHEMBL204658- UNII
- P25HC23VH6
- EC Number
- 201-487-4
- Nikkaji
- J70.174B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- 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
- 140
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthols
CosmeticsHair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP
1.82
2.19
SolubilitySolubility in water, g/100ml at 20 °C: 0.06
Flash Point
252 °C
252 °C c.c.
Decomposition250 °C
Vapor Pressure0.00000715 [mmHg]
Physical Description
Orange powder; [ICSC]
ORANGE POWDER.
Collision Cross Section
131.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2052574]
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
This chemical does not meet GHS hazard criteria for 0.7% (1 of 153) of reports.
Warning
H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 1,5-Naphthalenediol
REACH registered substance: Naphthalene-1,5-diol (EC: 201-487-4)
1,5-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,5-Naphthalenediol: Human health tier II assessment
Fire HazardsCombustible.
Hazards SummaryA mild eye irritant; [ICSC] A skin and eye irritant; May be harmful if ingested; [MSDSonline] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.
Chemical DangersOn combustion, forms toxic fumes. Reacts with strong oxidants.
Hazard Classes and Categories
Acute Tox. 4 (77.8%)
Acute toxicity - category 4
Safety & protection
Chemistry & industry
Uses & manufacturing
UsesUsed to make dyes; [Hawley]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information1,5-Naphthalenediol: ACTIVE
Applications
Uses1,5-Dihydroxynaphthalene is an intermediate of synthetic mordant azo dyes. It is an intermediate used in organic synthesis, pharmaceuticals, dyestuff fields and photograph industry. It is used as a coupling component in azo dyes as exemplified in the metallizable (Cr) wool dye, C.I. Mordant Black 9.
Upstream & downstream products
Upstream raw materials
Related reactions
22 records
Compound notes
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