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960-16-7 molecular structure
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tributyl(phenyl)stannane

ChemBase ID: 149900
Molecular Formular: C18H32Sn
Molecular Mass: 367.14768
Monoisotopic Mass: 368.15259502
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)c1ccccc1
Canonical SMILES:
CCCC[Sn](c1ccccc1)(CCCC)CCCC
InChI:
InChI=1S/C6H5.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKey:
SYUVAXDZVWPKSI-UHFFFAOYSA-N

Cite this record

CBID:149900 http://www.chembase.cn/molecule-149900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(phenyl)stannane
IUPAC Traditional name
tributyl(phenyl)stannane
Synonyms
Phenyltributylstannane
Phenyltributyltin
Tributylphenyltin
Tributylphenylstannane
三丁基苯基锡烷
苯基三丁基锡
苯基三丁基锡烷
三丁基苯基锡
CAS Number
960-16-7
MDL Number
MFCD00134394
Beilstein Number
3610571
PubChem SID
24863320
24887424
162244062
PubChem CID
607632

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 607632 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1309  LogD (pH = 7.4) 5.1309 
Log P 5.1309  Molar Refractivity 83.89 cm3
Polarizability 37.71245 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
125-128 °C/0.14 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.125 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.516(lit.) 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
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
35-36/37/39-45-60-61 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
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2788 6.1/PG 3 expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
C6H5Sn[(CH2)3CH3]3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 374601 external link
Packaging
1, 10 g in glass bottle
Sigma Aldrich - 79226 external link
Other Notes
Stannane used for the transfer of a phenyl group in palladium-catalyzed reactions1,2,3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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