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2179-92-2 molecular structure
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tributylstannanecarbonitrile

ChemBase ID: 146387
Molecular Formular: C13H27NSn
Molecular Mass: 316.06118
Monoisotopic Mass: 317.11654387
SMILES and InChIs

SMILES:
CCCC[Sn](CCCC)(CCCC)C#N
Canonical SMILES:
CCCC[Sn](C#N)(CCCC)CCCC
InChI:
InChI=1S/3C4H9.CN.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;;
InChIKey:
GMYAQHAKWKXYHG-UHFFFAOYSA-N

Cite this record

CBID:146387 http://www.chembase.cn/molecule-146387.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributylstannanecarbonitrile
IUPAC Traditional name
tributylstannanecarbonitrile
Synonyms
Tributyltin cyanide
三正丁基锡氰化物
CAS Number
2179-92-2
MDL Number
MFCD00009698
PubChem SID
24854084
162240584
PubChem CID
200512

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
235164 external link Add to cart Please log in.
Data Source Data ID
PubChem 200512 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.4688  LogD (pH = 7.4) 6.4688 
Log P 6.4688  Molar Refractivity 65.0713 cm3
Polarizability 29.881603 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
105-107 °C(lit.) expand Show data source
RTECS
WH6792000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
3146 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
2 expand Show data source
Risk Statements
23/24/25-36/37/38-52/53 expand Show data source
Safety Statements
22-26-36/37/39-45-61 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H315-H319-H331-H335-H412 expand Show data source
GHS Precautionary statements
P261-P273-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3146 6.1/PG 2 expand Show data source
Purity
97% expand Show data source
Linear Formula
[CH3(CH2)3]3SnCN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 235164 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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