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682-00-8 molecular structure
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tributyl(ethoxy)stannane

ChemBase ID: 150929
Molecular Formular: C14H32OSn
Molecular Mass: 335.10428
Monoisotopic Mass: 336.14750964
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)OCC
Canonical SMILES:
CCCC[Sn](OCC)(CCCC)CCCC
InChI:
InChI=1S/3C4H9.C2H5O.Sn/c3*1-3-4-2;1-2-3;/h3*1,3-4H2,2H3;2H2,1H3;/q;;;-1;+1
InChIKey:
SDTAGBUVRXOKAK-UHFFFAOYSA-N

Cite this record

CBID:150929 http://www.chembase.cn/molecule-150929.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(ethoxy)stannane
IUPAC Traditional name
tributyl(ethoxy)stannane
Synonyms
Tributyltin ethoxide
乙氧化三丁基锡
CAS Number
682-00-8
MDL Number
MFCD00009873
PubChem SID
162245088
24855136
PubChem CID
16688197

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
251518 external link Add to cart Please log in.
Data Source Data ID
PubChem 16688197 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4291  LogD (pH = 7.4) 4.4291 
Log P 4.4291  Molar Refractivity 70.6732 cm3
Polarizability 32.555573 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds 11  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
92 °C/0.1 mmHg(lit.) expand Show data source
Flash Point
104 °F expand Show data source
40 °C expand Show data source
Density
1.098 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.467(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
1992 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 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 1992 3/PG 3 expand Show data source
Purity
97% expand Show data source
Linear Formula
[CH3(CH2)3]3SnOC2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 251518 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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