Basic information
- CAS
138999-35-6- Standard SMILES
Oc1cccc2cccc(O)c12- InChIKey
OENHRRVNRZBNNS-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Overview
Naphthalene-1,8-diol is a member of the class of naphthalenediols that is naphthalene in which the hydrogens at positions 1 and 8 are replaced by hydroxy groups. It has a role as a fungal metabolite.
Names & identifiers
- Preferred name
- 1,8-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,8-diol
- English name
- 1,8-Naphthalenediol
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
Naphthalene-1,8-diol569-42-61,8-DihydroxynaphthaleneJEW2VB8R33DTXSID80205435CHEBI:1676041,8-DHNRefChem:73750DTXCID80127926209-316-51,8-NaphthalenediolMFCD00042701
Show more names
1,8-dihydroxynaphtalenePropranolol Impurity 54,8-Dihydroxynaphthalene1,8-Dihydroxynaphthalene 95%1,8-Dihydroxynaphthalene - [D64440]
1,8-Naphthalindiol8-hydroxy-1-naphthol1-Hydroxy-8-naphthol1,8-Naphthale138999-35-6UNII-JEW2VB8R33SCHEMBL70219AB90058
Database identifiers
- CAS
138999-35-6、569-42-6- PubChem CID
- 68438
- DTXSID
DTXSID80205435- ChEMBL
CHEMBL203537- ChEBI
CHEBI:167604- UNII
- JEW2VB8R33
- EC Number
- 209-316-5
- Nikkaji
- J135.089G
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 142
Experimental & physicochemical properties
SpringerMaterials PropertiesLuminescence
Physicochemical properties
- Melting point
- 137 · 137-143 °C
- Boiling point
- 140 °C · 140 °C(Press: 10 Torr)
- Density
- 1.33 · 1.33
- storage temp.
- 2 · 2-8°C
- pka
- 6.36 · 6.36±0.10(Predicted)
- form
- solid
- Appearance
- Light brown to gray Solid
- BRN
- 2044947 · 2044947
- InChI
- InChI=1S/C10H8O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12H
- InChIKey
- OENHRRVNRZBNNS-UHFFFAOYSA-N
- SMILES
- C1(O)=C2C(C=CC=C2O)=CC=C1
- CAS DataBase Reference
- 569 · 569-42-6(CAS DataBase Reference)
- FDA UNII
- 2 VB8R33 · JEW2VB8R33
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
Danger
H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (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.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (97.5%)
Safety data
- wgk
- 3
- hs_code
- 2906290090
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,8-Dihydroxynaphthalene (DHN) can be used as:An intermediate in the preparation of benzo analogs of spiromamakone A.A starting material to synthesize naphthopyran derivatives.An intermediate in the total synthesis of palmarumycin CP17 analogs.
Upstream & downstream products
Downstream products
Suppliers100 total
山东玖玥生物科技有限公司15553333686 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司
Related reactions
2 records
Compound notes
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