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148231-12-3 molecular structure
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5,8-dibromoquinoxaline

ChemBase ID: 144406
Molecular Formular: C8H4Br2N2
Molecular Mass: 287.93876
Monoisotopic Mass: 285.87412214
SMILES and InChIs

SMILES:
c1cc(c2c(c1Br)nccn2)Br
Canonical SMILES:
Brc1ccc(c2c1nccn2)Br
InChI:
InChI=1S/C8H4Br2N2/c9-5-1-2-6(10)8-7(5)11-3-4-12-8/h1-4H
InChIKey:
ZPZBXKVJNVNNET-UHFFFAOYSA-N

Cite this record

CBID:144406 http://www.chembase.cn/molecule-144406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,8-dibromoquinoxaline
IUPAC Traditional name
5,8-dibromoquinoxaline
Synonyms
5,8-Dibromoquinoxaline
CAS Number
148231-12-3
MDL Number
MFCD18448005
PubChem SID
162238621
PubChem CID
11514763

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
735302 external link Add to cart Please log in.
Data Source Data ID
PubChem 11514763 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8365827  LogD (pH = 7.4) 2.8365836 
Log P 2.8365836  Molar Refractivity 52.696 cm3
Polarizability 21.766119 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
198-203 °C (dec.) expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
25-37/38-41 expand Show data source
Safety Statements
26-39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P305 + P351 + P338 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C8H4Br2N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 735302 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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