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53911-92-5 molecular structure
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tributyl(3-methylbut-2-en-1-yl)stannane

ChemBase ID: 151113
Molecular Formular: C17H36Sn
Molecular Mass: 359.16874
Monoisotopic Mass: 360.18389515
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)CC=C(C)C
Canonical SMILES:
CCCC[Sn](CC=C(C)C)(CCCC)CCCC
InChI:
InChI=1S/C5H9.3C4H9.Sn/c1-4-5(2)3;3*1-3-4-2;/h4H,1H2,2-3H3;3*1,3-4H2,2H3;
InChIKey:
XEFRYQPTIWSVGI-UHFFFAOYSA-N

Cite this record

CBID:151113 http://www.chembase.cn/molecule-151113.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(3-methylbut-2-en-1-yl)stannane
IUPAC Traditional name
tributyl(3-methylbut-2-en-1-yl)stannane
Synonyms
Tributyl(3-methyl-2-butenyl)tin
3,3-Dimethylallyl(tri-n-butyl)tin
Prenyl(tri-n-butyl)stannane
Tri-n-butyl(3-methyl-2-butenyl)tin
三丁基(3-甲基-2-丁烯基)锡
三正丁基(3-甲基-2-丁烯基)锡
CAS Number
53911-92-5
EC Number
000-000-0
MDL Number
MFCD01863649
Beilstein Number
3588742
PubChem SID
24873305
162245271
PubChem CID
2734722

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2734722 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.9594  LogD (pH = 7.4) 7.9594 
Log P 7.9594  Molar Refractivity 83.1322 cm3
Polarizability 37.082882 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 11  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
283 °C(lit.) expand Show data source
283°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
Density
1.042 expand Show data source
1.069 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4880 expand Show data source
n20/D 1.488(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
UN2788 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
II expand Show data source
Risk Statements
21-25-36/38-48/23/25-50/53 expand Show data source
21-25-48/23/25-50/53 expand Show data source
Safety Statements
35-36/37/39-45-60-61 expand Show data source
36/37-45-57 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 Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H311-H372-H400-H410 expand Show data source
H301-H312-H315-H319-H372-H410 expand Show data source
GHS Precautionary statements
P260-P301+P310-P361-P302+P352-P405-P501A expand Show data source
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
90% expand Show data source
95% expand Show data source
Linear Formula
[CH3(CH2)3]3SnCH2CH=C(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 499846 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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