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145745-05-7 molecular structure
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[4-(benzyloxy)phenyl]tributylstannane

ChemBase ID: 89614
Molecular Formular: C25H38OSn
Molecular Mass: 473.26962
Monoisotopic Mass: 474.19445984
SMILES and InChIs

SMILES:
[Sn](c1ccc(cc1)OCc1ccccc1)(CCCC)(CCCC)CCCC
Canonical SMILES:
CCCC[Sn](c1ccc(cc1)OCc1ccccc1)(CCCC)CCCC
InChI:
InChI=1S/C13H11O.3C4H9.Sn/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;3*1-3-4-2;/h1,3-10H,11H2;3*1,3-4H2,2H3;
InChIKey:
DRDMDSYSKAAPQQ-UHFFFAOYSA-N

Cite this record

CBID:89614 http://www.chembase.cn/molecule-89614.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(benzyloxy)phenyl]tributylstannane
IUPAC Traditional name
[4-(benzyloxy)phenyl]tributylstannane
Synonyms
[4-(Benzyloxy)phenyl]tributylstannane
Benzyl 4-(tributylstannyl)phenyl ether
1-(Benzyloxy)-4-(tributylstannyl)benzene
[4-(Benzyloxy)phenyl]tributyltin
(4-Benzyloxyphenyl)tributylstannane
(4-苄氧基苯基)三丁基锡烷
CAS Number
145745-05-7
MDL Number
MFCD17015282
PubChem SID
162076480
PubChem CID
10600540

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10600540 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.6548  LogD (pH = 7.4) 6.6548 
Log P 6.6548  Molar Refractivity 114.9658 cm3
Polarizability 49.80943 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds 13  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>110 °C expand Show data source
>110°C expand Show data source
>230 °F expand Show data source
Density
1.128 expand Show data source
1.128 g/cm3 at 25 °C expand Show data source
Refractive Index
n20/D 1.546 expand Show data source
Storage Warning
Toxic 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
3 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
Empirical Formula (Hill Notation)
C25H38OSn expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 721131 external link
Packaging
1 g in glass bottle
Application
Reactant for:
• Preparation of epoxy-substituted aryl alkenes by Stille coupling reactions with allylic carbonates1
• Preparation of polycyclic meroterpenoids based on Stille couplings and titanocene catalysis2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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