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1245816-05-0 molecular structure
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2,3-difluoro-4-(tributylstannyl)pyridine

ChemBase ID: 64382
Molecular Formular: C17H29F2NSn
Molecular Mass: 404.1166664
Monoisotopic Mass: 405.12900037
SMILES and InChIs

SMILES:
c1(c([Sn](CCCC)(CCCC)CCCC)ccnc1F)F
Canonical SMILES:
CCCC[Sn](c1ccnc(c1F)F)(CCCC)CCCC
InChI:
InChI=1S/C5H2F2N.3C4H9.Sn/c6-4-2-1-3-8-5(4)7;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKey:
UZBXWEMZNTZREM-UHFFFAOYSA-N

Cite this record

CBID:64382 http://www.chembase.cn/molecule-64382.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-difluoro-4-(tributylstannyl)pyridine
IUPAC Traditional name
2,3-difluoro-4-(tributylstannyl)pyridine
Synonyms
2,3-Difluoro-4-(tributylstannyl)pyridine
2,3-Difluoro-4-(tributylstannyl)pyridine
CAS Number
1245816-05-0
MDL Number
MFCD10699151
PubChem SID
162030121
PubChem CID
44118226

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44118226 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5552  LogD (pH = 7.4) 4.5552 
Log P 4.5552  Molar Refractivity 83.1806 cm3
Polarizability 36.341053 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
1.233 g/mL at 25 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) 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
21-25-36/38-48/23/25-50/53 expand Show data source
Safety Statements
36/37/39-45-60-61 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H312-H315-H319-H372-H410 expand Show data source
GHS Precautionary statements
P273-P280-P301 + P310-P305 + P351 + P338-P314-P501 expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C17H29F2NSn expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 739480 external link
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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