Basic information
- Standard SMILES
Oc1ccc2ccc(O)cc2c1- InChIKey
DFQICHCWIIJABH-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.0524295
Overview
2,7-naphthalenediol has been reported in Magnolia liliiflora with data available.
Names & identifiers
- Preferred name
- 2,7-Naphthalenediol
- IUPAC
- naphthalene-2,7-diol
- English name
- 2,7-Dihydroxynaphthalene
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
2,7-DIHYDROXYNAPHTHALENE2,7-Naphthalenediol582-17-2Naphthalenediol-2,7CI 76645C.I. 766452,7-naphthalene diol0TO8E448UDDTXSID2060387NSC-407541CI-76645C.I.-76645
Show more names
2,7-DONc.i.766452,7-Dihydroxy2,7-Naphthelendiol2,7-Naphtalenediol
RefChem:446004DTXCID4042337209-478-7Naphthalene-2,7-diolMFCD00004085NSC 4075412,7-NaphthalindiolNaphthalenediol-2,7 [French]
Database identifiers
- CAS
582-17-2- PubChem CID
- 11397
- DTXSID
DTXSID2060387- ChEMBL
CHEMBL205165- UNII
- 0TO8E448UD
- EC Number
- 209-478-7
- Nikkaji
- J70.178E
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 142
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthols
CosmeticsHair dyeing
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionLight grey or slightly yellow solid; [EC: Opinion of the SCCP on 2,7-naphthalenediol] Grey powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 185 · 185-190 °C (lit.)
- Boiling point
- 246.06 °C · 246.06°C (rough estimate)
- Density
- 1.0924 · 1.0924 (rough estimate)
- bulk density
- 600 · 600-700kg/m3
- refractive index
- 1.5418 · 1.5418 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Powder
- pka
- 9.14 · 9.14±0.40(Predicted)
- color
- Gray
- Water Solubility
- insoluble
- BRN
- 2042383 · 2042383
- Cosmetics Ingredients Functions
- HAIR DYEING
- InChI
- 1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
- InChIKey
- DFQICHCWIIJABH-UHFFFAOYSA-N
- SMILES
- Oc1ccc2ccc(O)cc2c1
- LogP
- 1.98 · 1.980 (est)
- CAS DataBase Reference
- 582 · 582-17-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 0 TO8E448UD · 0TO8E448UD
- NIST Chemistry Reference
- 2 · 2,7-Naphthalenediol(582-17-2)
- EPA Substance Registry System
- 2 · 2,7-Naphthalenediol (582-17-2)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 2 · 2
- RTECS
- 4780000 · QJ4780000
- TSCA
- TSCA listed
- HS Code
- 29072900 · 29072900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (1 of 81) of reports.
Danger
H302 (14.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: 2,7-Naphthalenediol
2,7-Naphthalene diol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2,7-Naphthalenediol: Human health tier II assessment
Hazards Summary
Not irritating to rabbit skin; Highly irritating and corrosive to rabbit eyes; A moderate skin sensitizer using the mouse local lymph node assay (LLNA); Changes in hematology (reduced hemoglobin in males and higher MCV and MCH values in females), clinical chemistry (increased GGT in males and ALT in females), and histopathological changes in liver and kidney observed in 90-day oral study of rats; Hematological changes and histopathology of liver and kidney reversed within four week recovery period; No evidence of teratogenicity in rats; Not likely to have mutagenic potential in vivo; [EC: SCCP] A skin and strong eye irritant; [Alfa Aesar MSDS] See 1-Napththol and 2-Naphthol.
Hazard Classes and Categories
Acute Tox. 4 (14.8%)
Eye damage - category 1
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ4780000
- hs_code
- 29072900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Uses
Used in oxidative hair dye formulations; [EC: SCCP]
Dressing Hair [Category: Other]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,7-Naphthalenediol: ACTIVE
Applications
Uses2,7-Naphthalenediol is a reagent used in the preparation of monomers of high carbon materials. Also used in the synthesis of splitomicin analogues.
Uses2,7-Dihydroxynaphthalene can be used as starting material for the synthesis of sulfonic acids and divinylnaphthalenes.
Uses2,7-Dihydroxynaphthalene is a reagent used in the preparation of monomers of high carbon materials. Also used in the synthesis of splitomicin analogues.
Upstream & downstream products
Downstream products
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Related reactions
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