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23056-36-2 molecular structure
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2-chloro-4-nitropyridine

ChemBase ID: 18904
Molecular Formular: C5H3ClN2O2
Molecular Mass: 158.54252
Monoisotopic Mass: 157.98830503
SMILES and InChIs

SMILES:
c1cnc(cc1[N+](=O)[O-])Cl
Canonical SMILES:
Clc1nccc(c1)[N+](=O)[O-]
InChI:
InChI=1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
InChIKey:
LIEPVGBDUYKPLC-UHFFFAOYSA-N

Cite this record

CBID:18904 http://www.chembase.cn/molecule-18904.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-nitropyridine
IUPAC Traditional name
2-chloro-4-nitropyridine
Synonyms
2-Chloro-4-nitropyridine
2-Chloro-4-nitropyridine
2-氯-4-硝基吡啶
CAS Number
23056-36-2
MDL Number
MFCD00661454
Beilstein Number
120418
PubChem SID
24879667
160982211
PubChem CID
735152

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5197794  LogD (pH = 7.4) 1.5197794 
Log P 1.5197794  Molar Refractivity 36.0877 cm3
Polarizability 13.38458 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
50-51°C expand Show data source
50-54°C expand Show data source
52 - 56°C expand Show data source
52-56 °C(lit.) expand Show data source
Flash Point
106°C expand Show data source
Hydrophobicity(logP)
1.31 expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false 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
H302-H312-H315-H319-H332-H335 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H3ClN2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 557390 external link
Application
Starting material used in a tetrabutylammonium salt denitration leading to fluoro-, hydroxy- and methoxypyridines.1
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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