Home > Compound List > Compound details
681-99-2 molecular structure
click picture or here to close

tributyl(isocyanato)stannane

ChemBase ID: 149137
Molecular Formular: C13H27NOSn
Molecular Mass: 332.06058
Monoisotopic Mass: 333.11145849
SMILES and InChIs

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

Cite this record

CBID:149137 http://www.chembase.cn/molecule-149137.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tributyl(isocyanato)stannane
IUPAC Traditional name
tributyl(isocyanato)stannane
Synonyms
Tributyltin isocyanate
三丁基锡异氰酸酯
CAS Number
681-99-2
MDL Number
MFCD08272321
PubChem SID
24877773
162243305
PubChem CID
120323

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
530786 external link Add to cart Please log in.
Data Source Data ID
PubChem 120323 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7604988  LogD (pH = 7.4) 3.7605 
Log P 3.7605  Molar Refractivity 66.5192 cm3
Polarizability 30.587366 Å3 Polar Surface Area 29.43 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
297 °C(lit.) expand Show data source
Flash Point
110 °C expand Show data source
230 °F expand Show data source
Density
1.203 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.489(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
3082 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 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
35-36/37/39-45-60-61 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-H334-H372-H410 expand Show data source
GHS Precautionary statements
P261-P273-P280-P301 + P310-P305 + P351 + P338-P342 + P311 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 3082 9/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Linear Formula
[CH3(CH2)3]3SnNCO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 530786 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle