Naphthalene-1,7-diol
Basic information
- CAS
575-38-2- Standard SMILES
Oc1ccc2cccc(O)c2c1- InChIKey
ZUVBIBLYOCVYJU-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Overview
1,7-naphthalenediol has been reported in Magnolia liliiflora with data available.
Names & identifiers
- Preferred name
- Naphthalene-1,7-diol
- IUPAC
- naphthalene-1,7-diol
- English name
- 1,7-Dihydroxynaphthalene
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
Naphthalene-1,7-diolRefChem:736801,7-Dihydroxynaphthalene575-38-21,7-NaphthalenediolNapthalene-1,7-diolMFCD00035720C.I. 766351-Hydroxy-7-naphtholCCRIS 7895EINECS 209-383-0NSC 62686
Show more names
c.i.766351,7-Napthalenediolphthalene-1,7-diol1,7-Dihydroxynaphtha1,7-Dihydroxynaphthalin1,7-NAPHTHALENEDIOL 97%7-hydroxy-naphtalen-1-ol
1,7-Naphthalindiol2,8-dihydroxynaphthaleneNSC62686NSC-62686SCHEMBL29616DTXSID00603597D42F605CSAKOS005444304
Database identifiers
- CAS
575-38-2- PubChem CID
- 68462
- DTXSID
DTXSID0060359- ChEMBL
CHEMBL203378- UNII
- 7D42F605CS
- EC Number
- 209-383-0
- Nikkaji
- J70.176I
Properties
Computed structural properties
- XLogP
- 1.9
- 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
Chemical ClassesOther Classes -> Naphthols
SpringerMaterials PropertiesLuminescence
LogP1.94
Flash Point[Ullmann] 252 °C
Vapor Pressure0.00000715 [mmHg]
Physical DescriptionGray powder; [MSDSonline]
Physicochemical properties
- Melting point
- 180 · 180-184 °C (lit.)
- Boiling point
- 246.06 °C · 246.06°C (rough estimate)
- Density
- 1.0924 · 1.0924 (rough estimate)
- refractive index
- 1.5418 · 1.5418 (estimate)
- Flash point
- 252 °C · 252 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.58 · 9.58±0.40(Predicted)
- color
- Beige to Dark Brown
- Water Solubility
- Slightly soluble in water.
- λmax
- 335 nm · 335nm(Cyclohexane)(lit.)
- BRN
- 1908499 · 1908499
- Cosmetics Ingredients Functions
- HAIR DYEING
- InChI
- 1S/C10H8O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6,11-12H
- InChIKey
- ZUVBIBLYOCVYJU-UHFFFAOYSA-N
- SMILES
- Oc1ccc2cccc(O)c2c1
- CAS DataBase Reference
- 575 · 575-38-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 7 D42F605CS · 7D42F605CS
- NIST Chemistry Reference
- 1 · 1,7-Dihydroxynaphthalene(575-38-2)
- EPA Substance Registry System
- -1 · Napthalene-1,7-diol (575-38-2)
- UNSPSC Code
- 12352100 · 12352100
- 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
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39-36/37
- WGK Germany
- 2 · 2
- RTECS
- 4746666 · QJ4746666
- TSCA
- TSCA listed
- HS Code
- 29072900 · 29072900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1,7-Naphthalenediol
Other Safety InformationIMAP assessments - 1,7-Naphthalenediol: Human health tier I assessment
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] See 1-Napththol and 2-Naphthol. See 2,7-Naphthalenediol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ4746666
- hs_code
- 29072900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesUsed to make dyes; [Hawley]
General Manufacturing Information1,7-Naphthalenediol: ACTIVE
Applications
UsesThe preparation of 1,7-Dihydroxynaphthalene and its prompt characterization from its NMR data and peculiarities. Removal of dihydroxynaphthalenes from aqueous solution with the aid of an oxidoreductase polyphenol oxidase and biopolymer chitosan.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
2 records
Compound notes
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