4-(cupriooxy)-1,1,1,5,5,5-hexafluoropent-3-en-2-one; trimethyl[2-(trimethylsilyl)ethynyl]silane

• ChemBase ID: 146374
• Molecular Formular: C13H19CuF6O2Si2
• Molecular Mass: 440.9961792
• Monoisotopic Mass: 440.01237473
• SMILES: C[Si](C)(C)C#C[Si](C)(C)C.C(=C(\C(F)(F)F)/O[Cu])/C(=O)C(F)(F)F
• Canonical SMILES: C[Si](C#C[Si](C)(C)C)(C)C.[Cu]O/C(=C\C(=O)C(F)(F)F)/C(F)(F)F
• InChI: InChI=1S/C8H18Si2.C5H2F6O2.Cu/c1-9(2,3)7-8-10(4,5)6;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-6H3;1,12H;/q;;+1/p-1
• InChIKey: YESCMKQKTNVQCY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cupriooxy)-1,1,1,5,5,5-hexafluoropent-3-en-2-one; trimethyl[2-(trimethylsilyl)ethynyl]silane
• IUPAC Traditional name: 4-(cupriooxy)-1,1,1,5,5,5-hexafluoropent-3-en-2-one; bis(trimethylsilyl)acetylene
• Synonyms: [(η2-1,2-Ethynediyl)bis[trimethylsilane]](1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O′) copper; [Bis(trimethylsilyl)acetylene](hexafluoroacetylacetonato)copper(I); [二(三甲基甲硅烷基)乙酰亚基](六氟乙酰基丙酮酸根)铜(I)

Database IDs

• CAS Number: 137039-38-4
• MDL Number: MFCD00274621
• PubChem SID: 24867346; 162240572
• PubChem CID: 16212856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3461
• LogD (pH = 7.4): 1.3461
• Log P: 1.3461
• Molar Refractivity: 29.1366 cm^3
• Polarizability: 13.6199665 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51-54 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Linear Formula: (CH3)3SiC≡CSi(CH3)3·[CF3COCH=C(O-)CF3]Cu

DETAILS

Sigma Aldrich - 437093

Packaging
1 g in glass bottle
Application
Investigations of the structure and fluorescence of copper hexafluoropentanedionate alkyne clusters1Used in chemical vapor depositing of copper2
Used in chemical vapor deposition of copper.