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4774-14-5 molecular structure
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2,6-dichloropyrazine

ChemBase ID: 9382
Molecular Formular: C4H2Cl2N2
Molecular Mass: 148.97808
Monoisotopic Mass: 147.95950343
SMILES and InChIs

SMILES:
c1(nc(cnc1)Cl)Cl
Canonical SMILES:
Clc1cncc(n1)Cl
InChI:
InChI=1S/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2H
InChIKey:
LSEAAPGIZCDEEH-UHFFFAOYSA-N

Cite this record

CBID:9382 http://www.chembase.cn/molecule-9382.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloropyrazine
IUPAC Traditional name
2-chloro-6-chloro-pyrazine
Synonyms
2,6-Dichloropyrazine
2,6-Dichloropyrazine
2,6-Dichlorpyrazin
m-Dichloropyrazine
2,6-二氯吡嗪
CAS Number
4774-14-5
EC Number
225-316-8
MDL Number
MFCD00006125
Beilstein Number
2439
PubChem SID
24848055
160972689
PubChem CID
78504

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1863446  LogD (pH = 7.4) 1.1863446 
Log P 1.1863446  Molar Refractivity 33.4764 cm3
Polarizability 12.56053 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)
Solubility
Ethanol expand Show data source
Methanol expand Show data source
Apperance
White Powder expand Show data source
Melting Point
52-56°C expand Show data source
53-56°C expand Show data source
55-58 °C(lit.) expand Show data source
55-58°C expand Show data source
Boiling Point
57-58°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Storage Warning
IRRITANT expand Show data source
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
German water hazard class
3 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
true expand Show data source
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
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C4H2Cl2N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 132497 external link
Application
Used in a synthesis of oxacalixarenes containing nitrogen heterocycles.1
Packaging
1, 5, 25 g in glass bottle
Toronto Research Chemicals - D435825 external link
2,6-Dichloropyrazine is used in the preparation of pyrazine and pyridine compounds as ATR kinase inhibitors.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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