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2213-63-0 molecular structure
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2,3-dichloroquinoxaline

ChemBase ID: 83066
Molecular Formular: C8H4Cl2N2
Molecular Mass: 199.03676
Monoisotopic Mass: 197.9751535
SMILES and InChIs

SMILES:
n1c2c(nc(c1Cl)Cl)cccc2
Canonical SMILES:
Clc1nc2ccccc2nc1Cl
InChI:
InChI=1S/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H
InChIKey:
SPSSDDOTEZKOOV-UHFFFAOYSA-N

Cite this record

CBID:83066 http://www.chembase.cn/molecule-83066.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloroquinoxaline
IUPAC Traditional name
quinoxaline, 2,3-dichloro-
Synonyms
NSC 33437
2,3-Dichloroquinoxaline
2,3-Dichloroquinoxaline
2,3-二氯喹喔啉
CAS Number
2213-63-0
EC Number
218-667-3
MDL Number
MFCD00006720
Beilstein Number
126076
PubChem SID
162070185
24848664
PubChem CID
16659

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9475222  LogD (pH = 7.4) 2.9475222 
Log P 2.9475222  Molar Refractivity 49.1826 cm3
Polarizability 19.96933 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
151-155°C expand Show data source
152-154 °C(lit.) expand Show data source
RTECS
VD1720000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
UN2811 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
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
25-36/37/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
≥90% (AT) expand Show data source
96% 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
Empirical Formula (Hill Notation)
C8H4Cl2N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05207952 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 144525 external link
Packaging
10 g in glass bottle
50 g in poly bottle
Toronto Research Chemicals - D435955 external link
2,3-Dichloroquinoxaline is a dichlorinated quinoxaline derivative with antimicrobial activity. 2,3-Dichloroquinoxaline is used in the preparation of quinoxaline derivatives of cancer chemopreventive activity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Metzner, J. et al.: Pharmazie, 36, 368 (1981)
  • • Galal, S.A> et al.: Eur. J. Med. Chem., 46, 327 (1981)
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PATENTS

PATENTS

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INTERNET

INTERNET

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