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1008756-65-7 molecular structure
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2-bromo-5-(tributylstannyl)pyridine

ChemBase ID: 141792
Molecular Formular: C17H30BrNSn
Molecular Mass: 447.0318
Monoisotopic Mass: 447.05835597
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)c1ccc(nc1)Br
Canonical SMILES:
CCCC[Sn](c1ccc(nc1)Br)(CCCC)CCCC
InChI:
InChI=1S/C5H3BrN.3C4H9.Sn/c6-5-3-1-2-4-7-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey:
PHUCQXUSEZANQN-UHFFFAOYSA-N

Cite this record

CBID:141792 http://www.chembase.cn/molecule-141792.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-(tributylstannyl)pyridine
IUPAC Traditional name
2-bromo-5-(tributylstannyl)pyridine
Synonyms
2-Bromo-5-(tributylstannyl)pyridine
2-溴-5-(三丁基甲锡烷基)吡啶
CAS Number
1008756-65-7
MDL Number
MFCD10699137
PubChem SID
162236026
PubChem CID
24786296

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
704849 external link Add to cart Please log in.
Data Source Data ID
PubChem 24786296 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.008218  LogD (pH = 7.4) 5.008299 
Log P 5.0083  Molar Refractivity 90.1981 cm3
Polarizability 39.75 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)
Boiling Point
150-154 °C/2 mmHg expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
1.314 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.537 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2788 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
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
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
RID/ADR
UN 2788 6.1/PG 3 expand Show data source
Purity
97% (H-NMR) expand Show data source
Empirical Formula (Hill Notation)
C17H30BrNSn expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 704849 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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