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15854-87-2 molecular structure
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4-iodopyridine

ChemBase ID: 64561
Molecular Formular: C5H4IN
Molecular Mass: 204.99643
Monoisotopic Mass: 204.93884713
SMILES and InChIs

SMILES:
n1ccc(I)cc1
Canonical SMILES:
Ic1ccncc1
InChI:
InChI=1S/C5H4IN/c6-5-1-3-7-4-2-5/h1-4H
InChIKey:
RTLUPHDWSUGAOS-UHFFFAOYSA-N

Cite this record

CBID:64561 http://www.chembase.cn/molecule-64561.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-iodopyridine
IUPAC Traditional name
4-iodopyridine
Synonyms
p-Iodopyridine
4-Iodopyridine
4-Iodopyridine
对碘吡啶
4-碘吡啶
CAS Number
15854-87-2
EC Number
000-000-0
MDL Number
MFCD02093937
Beilstein Number
1594
PubChem SID
162030300
PubChem CID
609492

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6715561  LogD (pH = 7.4) 1.6843517 
Log P 1.6845179  Molar Refractivity 37.2636 cm3
Polarizability 14.653734 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
75-85°C expand Show data source
94-99 °C expand Show data source
96-99°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Light Sensitive expand Show data source
Light Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
22-37/38-41 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-39 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-H315-H319-H335 expand Show data source
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
Storage Temperature
-20°C expand Show data source
Purity
96% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H4IN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 722170 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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