Basic information
- CAS
132-86-5- Standard SMILES
Oc1cc(O)c2ccccc2c1- InChIKey
XOOMNEFVDUTJPP-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Names & identifiers
- Preferred name
- 1,3-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,3-diol
- English name
- 1,3-Dihydroxynaphthalene
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
1,3-Naphthalenediol132-86-51,3-DIHYDROXYNAPHTHALENENaphthoresorcinol5X457YEW8YDTXSID8059631RefChem:832042DTXCID8034081205-079-7Naphthalene-1,3-diolNaphthoresoucinol3-Hydroxybenzocyclohexadien-1-one
Show more names
NAPHTORESORCINENAPHTHORESORCINEnaphtharesorcinol1,3-phthalenediolNaphthoresorcinolGr1,3-Dioxynaphthalene
MFCD00003965NaphthoresorcinCCRIS 7896AI3-08780EINECS 205-079-7UNII-5X457YEW8YNSC 115890NSC-115890
Database identifiers
- CAS
132-86-5- PubChem CID
- 8601
- DTXSID
DTXSID8059631- ChEMBL
CHEMBL381547- UNII
- 5X457YEW8Y
- EC Number
- 205-079-7
- Nikkaji
- J5.577H
Properties
Computed structural properties
- XLogP
- 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
Vapor Pressure0.00000715 [mmHg]
Physical DescriptionClear solid; [Hawley] Tan powder; [MSDSonline]
Physicochemical properties
- Melting point
- 123 · 123-125 °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)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 50 mg/mL · ethanol: soluble50mg/mL
- form
- crystalline
- pka
- 9.15 · 9.15±0.40(Predicted)
- color
- white to tan
- Water Solubility
- Soluble in ethanol (50 mg/ml), and water.
- Sensitive
- Light Sensitive
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 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H341 (10.4%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 1,3-Naphthalenediol
1,3-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] See Resorcinol.
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)；Muta. 2 (10.4%)
Regulatory information
Regulatory Information
Chemistry & industry
Uses & manufacturing
UsesUsed as an analytical reagent and to make dyes and pharmaceuticals; [Hawley]
General Manufacturing Information1,3-Naphthalenediol: ACTIVE
Applications
Description1,3-Dihydroxynaphthalene (1,3-DHN) is a multifunctional chemical reagent. Similar to resorcinol, it can be phosphorylated at room temperature using phosphotriamide, though its rate of diphosphorylation is lower. In addition, the 1,3-DHN molecule exhibits fluorescent properties, with absorption spectra peaking at 290 nm and 330 nm, while the emission spectrum shows a peak at 380 nm and a shoulder peak at 425 nm. Non-ionic surfactants significantly enhance the fluorescence intensity of 1,3-DHN, whereas the addition of cationic or anionic additives diminishes its fluorescence intensity.
UsesReagent for sugars, oils, and for glucuronic acid in urine: Forsyth, Nature 161, 239 (1948); Heyns, Kelch, Z. Anal. Chem. 139, 339 (1953).
Uses1,3-Naphthalenediol is a derivative of naphthalene (N345600) and may have antibacterial activity against oral bacteria.Dyes and metabolites.
Upstream & downstream products
Upstream raw materials
Related reactions
18 records
Compound notes
Loading…