Home > Compound List > Compound details
581-43-1 molecular structure
click picture or here to close

naphthalene-2,6-diol

ChemBase ID: 149961
Molecular Formular: C10H8O2
Molecular Mass: 160.16932
Monoisotopic Mass: 160.0524295
SMILES and InChIs

SMILES:
c1cc(cc2c1cc(cc2)O)O
Canonical SMILES:
Oc1ccc2c(c1)ccc(c2)O
InChI:
InChI=1S/C10H8O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H
InChIKey:
MNZMMCVIXORAQL-UHFFFAOYSA-N

Cite this record

CBID:149961 http://www.chembase.cn/molecule-149961.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalene-2,6-diol
IUPAC Traditional name
2,6-naphthalenediol
Synonyms
2,6-Naphthalenediol
2,6-Dihydroxynaphthalene
2,6-Naphthalenediol
Naphthalene-2,6-diol
2,6-萘二酚
2,6-二羟基萘
CAS Number
581-43-1
EC Number
209-465-6
MDL Number
MFCD00004082
Beilstein Number
1238082
PubChem SID
24863516
162244123
24856658
PubChem CID
93552

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.492978  H Acceptors
H Donor LogD (pH = 5.5) 2.3555481 
LogD (pH = 7.4) 2.3521142  Log P 2.355592 
Molar Refractivity 46.47 cm3 Polarizability 19.07098 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
220-224 °C expand Show data source
223-225 °C(lit.) expand Show data source
223-225°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥96.0% (HPLC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
C10H6(OH)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 275603 external link
Packaging
5 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle