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Home> Hot Product Listed T   > T6536202
5847-52-9 structure

T6536202

Iupac Name:tributylstannyl 2-chloroacetate
CAS No.:5847-52-9
Molecular Weight:383.544
Molecular Formula:C13H15NO3S (isomer)
Names and Identifiers
Synonyms

4-[1-tert-butyl-5-(propan-2-yl)-1h-pyrazole-3-carbonyl]piperazin-2-one MCULE-5464484283 MOLPORT-009-557-953 Z460824024 ZINC40553376

Inchi
InChI=1S/3C4H9.C2H3ClO2.Sn/c3*1-3-4-2;3-1-2(4)5;/h3*1,3-4H2,2H3;1H2,(H,4,5);/q;;;;+1/p-1
InChkey
VULBAORKCQWGGB-UHFFFAOYSA-M
Canonical Smiles
CCCC[Sn](CCCC)(CCCC)OC(=O)CCl
Safety and Handling
Safety Statements
Poison by intravenous route. When heated to decomposition it emits toxic fumes of Cl−. See also TIN COMPOUNDS.Analytical Methods:   For occupational chemical analysis use NIOSH: Organotin Compounds 5504.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:383.544g/mol
  • Molecular Formula:C13H15NO3S
  • Compound Is Canonicalized:True
  • Exact Mass:384.088
  • Monoisotopic Mass:384.088
  • Complexity:200
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwMAAEAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAACAOAgEACCAAAAAAI AACQCAAAAAAAAAAAAAAAAQBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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