Home > Compound List > Compound details
86-48-6 molecular structure
click picture or here to close

1-hydroxynaphthalene-2-carboxylic acid

ChemBase ID: 90460
Molecular Formular: C11H8O3
Molecular Mass: 188.17942
Monoisotopic Mass: 188.04734412
SMILES and InChIs

SMILES:
Oc1c2c(ccc1C(=O)O)cccc2
Canonical SMILES:
OC(=O)c1ccc2c(c1O)cccc2
InChI:
InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
InChIKey:
SJJCQDRGABAVBB-UHFFFAOYSA-N

Cite this record

CBID:90460 http://www.chembase.cn/molecule-90460.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-hydroxynaphthalene-2-carboxylic acid
IUPAC Traditional name
2-carboxy-1-naphthol
1-hydroxy-2-naphthoic acid
Synonyms
1-Hydroxynaphthalene-2-carboxylic acid
2-Carboxy-1-hydroxynaphthalene
1-Hydroxy-2-naphthoic acid
α-Hydroxynaphthoic acid
1-Hydroxy-2-naphthoic acid
1-Hydroxy-2-naphthalenecarboxylic Acid
1-Naphthol-2-carboxylic Acid
NSC 3717
Xinafoic acid.
α-羟基萘甲酸
1-羟基-2-萘甲酸
CAS Number
86-48-6
EC Number
201-674-0
MDL Number
MFCD00003960
Beilstein Number
974438
Merck Index
144834
PubChem SID
24846929
162077266
24879795
PubChem CID
6844

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.7015777  H Acceptors
H Donor LogD (pH = 5.5) 0.24162517 
LogD (pH = 7.4) -0.5342609  Log P 2.9667401 
Molar Refractivity 51.7453 cm3 Polarizability 20.763548 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White to Tan Solid expand Show data source
Melting Point
193-207°C expand Show data source
195-200 °C (dec.)(lit.) expand Show data source
195-200(dec.)°C expand Show data source
205°C expand Show data source
ca 200°C dec. expand Show data source
Flash Point
150 °C expand Show data source
150°C expand Show data source
302 °F expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
Irritant 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
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 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
≥97.0% expand Show data source
≥97.0% (T) expand Show data source
95+% expand Show data source
97% expand Show data source
98+% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Linear Formula
HOC10H6CO2H expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 109630 external link
General description
Sodium salt has been used to solubilize riboflavin.
Packaging
100 g in poly bottle
5 g in glass bottle
Toronto Research Chemicals - H950850 external link
Metabolite from phenanthrene degradation.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Pinyakong, O. et al.: FEMS Microbiol. Lett. 191, 115 (2000)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle