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21427-62-3 molecular structure
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2,5-dichloro-3-nitropyridine

ChemBase ID: 66682
Molecular Formular: C5H2Cl2N2O2
Molecular Mass: 192.98758
Monoisotopic Mass: 191.94933267
SMILES and InChIs

SMILES:
c1(c(cc(cn1)Cl)[N+](=O)[O-])Cl
Canonical SMILES:
Clc1cnc(c(c1)[N+](=O)[O-])Cl
InChI:
InChI=1S/C5H2Cl2N2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
InChIKey:
OBUGJYJQJWMOQO-UHFFFAOYSA-N

Cite this record

CBID:66682 http://www.chembase.cn/molecule-66682.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dichloro-3-nitropyridine
IUPAC Traditional name
2,5-dichloro-3-nitropyridine
Synonyms
2,5-Dichloro-3-nitropyridine
2,5-Dichloro-3-nitro pyridine
2,5-Dichloro-3-nitropyridine
CAS Number
21427-62-3
MDL Number
MFCD06658963
PubChem SID
162032419
PubChem CID
8063331

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1238241  LogD (pH = 7.4) 2.1238241 
Log P 2.1238241  Molar Refractivity 40.8925 cm3
Polarizability 15.410887 Å3 Polar Surface Area 56.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
39-45°C expand Show data source
41 - 45°C expand Show data source
41-45 °C expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Hydrophobicity(logP)
1.884 expand Show data source
Storage Warning
Harmful/Corrosive/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
25-37/38-41 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false 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
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H2Cl2N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 730548 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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