Basic information
- CAS
575-44-0- Standard SMILES
Oc1ccc2c(O)cccc2c1- InChIKey
FZZQNEVOYIYFPF-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.05242949
Overview
Naphthalene-1,6-diol is a naphthalenediol.
Names & identifiers
- Preferred name
- 1,6-Dihydroxynaphthalene
- IUPAC
- naphthalene-1,6-diol
- English name
- 1,6-Dihydroxynaphthalene
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
1,6-Dihydroxynaphthalene575-44-01,6-Naphthalenediolnaphthalene-1,6-diol2,5-Naphthalenediol6-Hydroxy-1-naphthol2,5-DihydroxynaphthaleneC.I. 76630NSC-720134C30KW024DTXSID7052238CHEBI:42040
Show more names
enedioLc.i.766301,6-NaphthaL1,6-NAPTHTALENEDIOL
RefChem:164607DTXCID2030809209-386-71,6-DIHYDROXY NAPHTHALENE1,6-DihydroxynaphtaleneNaphthalene, 1,6-dihydroxy-CCRIS 78941,6-dihydroxyl naphthalene
Database identifiers
- CAS
575-44-0- PubChem CID
- 68463
- DTXSID
DTXSID7052238- ChEMBL
CHEMBL204394- ChEBI
CHEBI:42040- UNII
- 34C30KW024
- EC Number
- 209-386-7
- Nikkaji
- J70.175K
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
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 130 · 130-133 °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.
- Sealed in dry,Room Temperature
- solubility
- very faint turbidity in Methanol
- form
- Powder or Crystalline Powder
- pka
- 9.26 · 9.26±0.40(Predicted)
- color
- White to brown
- BRN
- 1939032 · 1939032
- InChI
- InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H
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 43.5% (37 of 85) of reports.
Warning
H315 (56.5%): 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 85 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,6-Naphthalenediol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (56.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ4743333
- hs_code
- 29072990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,6-Naphthalenediol: ACTIVE
Applications
Uses1,6-Dihydroxynaphthalene is used as a dye and pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Related reactions
4 records
Compound notes
Loading…