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56-36-0 molecular structure
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tributylstannylium acetate

ChemBase ID: 295394
Molecular Formular: C14H30O2Sn
Molecular Mass: 349.0878
Monoisotopic Mass: 350.1267742
SMILES and InChIs

SMILES:
CCCC[Sn+](CCCC)CCCC.CC(=O)[O-]
Canonical SMILES:
[O-]C(=O)C.CCCC[Sn+](CCCC)CCCC
InChI:
InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1
InChIKey:
PWBHRVGYSMBMIO-UHFFFAOYSA-M

Cite this record

CBID:295394 http://www.chembase.cn/molecule-295394.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributylstannylium acetate
IUPAC Traditional name
tributylstannylium acetate
Synonyms
Acetoxy(tri-n-butyl)tin
Tri-n-butyltin acetate
三正丁基乙酸锡
CAS Number
56-36-0
EC Number
200-269-6
MDL Number
MFCD00015228
PubChem SID
180680925
PubChem CID
46871717

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 46871717 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5287  LogD (pH = 7.4) 3.5287 
Log P 3.5287  Molar Refractivity 58.4157 cm3
Polarizability 27.806976 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
86-87°C expand Show data source
Storage Warning
Moisture Sensitive 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
UN3146 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III 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
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H301-H312-H315-H319-H372-H400-H410 expand Show data source
GHS Precautionary statements
P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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