Tributyl(prop-1-yn-1-yl)stannane

HCID 2733165CAS 64099-82-7

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Grundinformationen

Standard-SMILES: CC#[C][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC
InChIKey: KCQJLTOSSVXOCC-UHFFFAOYSA-N
Summenformel: C15H30Sn
Durchschnittliche Molmasse: 329,11 g/mol
Monoisotopische Masse: 330,13694566

Namen und Bezeichner

Bevorzugter Name: Tributyl(prop-1-yn-1-yl)stannane
IUPAC: tributyl(prop-1-ynyl)stannane
Englischer Name: Tributylpropynylstannane
Summenformel: C15H30Sn
Molmasse: 329.11

Namen und Synonyme

tributyl(prop-1-yn-1-yl)stannaneRefChem:899113626-507-264099-82-7Tributyl(1-propynyl)tintributyl(prop-1-ynyl)stannane(1-Propynyl)tributylstannaneTRIBUTYLPROPYNYLSTANNANETributyl-1-propynyltinC15H30SnMFCD01863650propynyltributyltin;

Weitere Namen anzeigen

SKL972tech.80%PROPYNYLTRI-N-BUTYLTIN1-PROPYNYLTRI-N-BUTYLTINTributyl-1-propyn-1-yltintributylpropyltin alkanesTributyl(1-propynyl)tin 95%

Stannane, tributyl-1-propynyl-CH3CCSnBu31-Propynyltributylstannanetributyl(1-propynyl)tin;tributyl(1-propynyl)stannane(1-propynyl)tri-n-butyltin;tributyl(1-propynyl)stannane;Tributyl-prop-1-ynyl-stannane

Datenbank-Bezeichner

CAS: 64099-82-7
PubChem CID: 2733165
DTXSID: DTXSID10369776
EC Number: 626-507-2
Nikkaji: J329.521D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 10
Schwere Atome: 16
Formalladung: 0
Komplexität: 196

Physikochemische Eigenschaften

Siedepunkt: 277 °C · 277 °C (lit.)
Dichte: 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.483(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: liquid
Wichte: 1.082 · 1.082
Farbe: Colourless
InChI: InChI=1S/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H3;
InChIKey: KCQJLTOSSVXOCC-UHFFFAOYSA-N
SMILES: [Sn](CCCC)(CCCC)(CCCC)C#CC

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN 2788 6.1/PG 3
hs_code: 29319090
risk_code: 21-25-36/38-48/23/25-50/53
hazard_code: T,N
safety_code: 35-36/37/39-45-60-61
hazard_class: 6.1
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenTributyl(1-propynyl)tin can be used:As a starting material in the synthesis of phenyl-substituted pyrimidine-dione by reacting with ethyl isocyanate via cycloaddition and Stille coupling reactions.In the synthesis of 18F labeled triazolo quinoline derivative, a positron emission tomography (PET) ligand used in the in vivo imaging of metabotropic glutamate receptor type 1.In one of the key synthetic steps for the synthesis of 4-(1-aryltriazol-4-yl)-tetrahydropyridines as potent mGluR1 antagonists.