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263698-99-3 molecular structure
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2-chloro-6-(tributylstannyl)pyridine

ChemBase ID: 64387
Molecular Formular: C17H30ClNSn
Molecular Mass: 402.5808
Monoisotopic Mass: 403.10887165
SMILES and InChIs

SMILES:
n1c([Sn](CCCC)(CCCC)CCCC)cccc1Cl
Canonical SMILES:
CCCC[Sn](c1cccc(n1)Cl)(CCCC)CCCC
InChI:
InChI=1S/C5H3ClN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKey:
SRBYIFPGENOZFS-UHFFFAOYSA-N

Cite this record

CBID:64387 http://www.chembase.cn/molecule-64387.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-(tributylstannyl)pyridine
IUPAC Traditional name
2-chloro-6-(tributylstannyl)pyridine
Synonyms
2-(Tributylstannyl)-6-chloropyridine
2-Chloro-6-(tributylstannyl)pyridine
6-Chloro-2-(tributylstannyl)pyridine
2-氯-6-(三丁基锡基)吡啶
CAS Number
263698-99-3
MDL Number
MFCD10699155
PubChem SID
162030126
PubChem CID
11784418

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11784418 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.4060774  LogD (pH = 7.4) 5.406297 
Log P 5.4063  Molar Refractivity 87.9127 cm3
Polarizability 38.80994 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
118.4 °F expand Show data source
48 °C expand Show data source
Density
1.191 g/mL at 25 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
UN Number
1992 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
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226 expand Show data source
RID/ADR
UN 1992 3/PG 3 expand Show data source
Purity
95+% expand Show data source
Empirical Formula (Hill Notation)
C17H30ClNSn expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 719609 external link
Packaging
1 g in glass bottle
500 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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