Home > Compound List > Compound details
15804-19-0 molecular structure
click picture or here to close

quinoxaline-2,3-diol

ChemBase ID: 87201
Molecular Formular: C8H6N2O2
Molecular Mass: 162.14544
Monoisotopic Mass: 162.04292744
SMILES and InChIs

SMILES:
n1c(c(nc2ccccc12)O)O
Canonical SMILES:
Oc1nc2ccccc2nc1O
InChI:
InChI=1S/C8H6N2O2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
InChIKey:
ABJFBJGGLJVMAQ-UHFFFAOYSA-N

Cite this record

CBID:87201 http://www.chembase.cn/molecule-87201.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoxaline-2,3-diol
IUPAC Traditional name
quinoxaline-2,3-diol
Synonyms
2,3-dihydroxyquinoxaline 98%
2,3[1H,4H]-Quinoxalinedione
2,3-DIHYDROXYQUINOXALINE
quinoxaline-2,3-diol
2,3(1H,4H)-Quinoxalinedione
2,3-Quinoxalinediol
2,3-Dihydroxyquinoxaline
2,3(1H,4H)-喹喔啉二酮
喹喔啉-2,3-二羟基
2,3-二羟基喹喔啉
CAS Number
15804-19-0
6287-20-3
EC Number
239-901-0
MDL Number
MFCD00006723
Beilstein Number
136884
PubChem SID
24848683
162074317
PubChem CID
27491

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.211089  H Acceptors
H Donor LogD (pH = 5.5) 1.8808616 
LogD (pH = 7.4) 1.8807967  Log P 1.8808628 
Molar Refractivity 42.0392 cm3 Polarizability 17.266867 Å3
Polar Surface Area 66.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
>300 °C(lit.) expand Show data source
>300°C expand Show data source
Storage Condition
2-8°C expand Show data source
RTECS
VD2100000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
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
22-37/38-41 expand Show data source
Safety Statements
26-39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Gene Information
rat ... Gria1(50592), Grik1(29559), Grin2a(24409) expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C8H6N2O2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157751 external link
(2,3[1H,4H]-Quinoxalinedione)
Sigma Aldrich - 144789 external link
Packaging
100 g in glass bottle
25 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