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1067-52-3 molecular structure
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tributyl(methoxy)stannane

ChemBase ID: 148994
Molecular Formular: C13H30OSn
Molecular Mass: 321.0777
Monoisotopic Mass: 322.13185958
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)OC
Canonical SMILES:
CCCC[Sn](CCCC)(CCCC)OC
InChI:
InChI=1S/3C4H9.CH3O.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H3;/q;;;-1;+1
InChIKey:
KJGLZJQPMKQFIK-UHFFFAOYSA-N

Cite this record

CBID:148994 http://www.chembase.cn/molecule-148994.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(methoxy)stannane
IUPAC Traditional name
tributyl(methoxy)stannane
Synonyms
Tributyltin methoxide
三正丁基甲氧基锡
CAS Number
1067-52-3
EC Number
213-933-5
MDL Number
MFCD00009419
PubChem SID
162243164
24853739
PubChem CID
16683411

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
229245 external link Add to cart Please log in.
Data Source Data ID
PubChem 16683411 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0866  LogD (pH = 7.4) 4.0866 
Log P 4.0866  Molar Refractivity 65.9246 cm3
Polarizability 30.72781 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
97-97.5 °C/0.06 mmHg(lit.) expand Show data source
Flash Point
210.2 °F expand Show data source
99 °C expand Show data source
Density
1.115 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.472(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
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
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% expand Show data source
Linear Formula
[CH3(CH2)3]3SnOCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 229245 external link
Application
For a review on tin reagents in organic synthesis see Aldrichimica Acta.1
Packaging
25, 100 g in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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