iodocopper; trimethyl phosphite

• ChemBase ID: 134502
• Molecular Formular: C3H9CuIO3P
• Molecular Mass: 314.525991
• Monoisotopic Mass: 313.86300128
• SMILES: COP(OC)OC.[Cu]I
• Canonical SMILES: COP(OC)OC.I[Cu]
• InChI: InChI=1S/C3H9O3P.Cu.HI/c1-4-7(5-2)6-3;;/h1-3H3;;1H/q;+1;/p-1
• InChIKey: MXHFJMDNOFWFFV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iodocopper; trimethyl phosphite
• IUPAC Traditional name: copper(I) iodide; trimethyl phosphite
• Synonyms: Cuprous iodide trimethylphosphite complex; Copper(I) iodide trimethylphosphite complex; Copper(I) iodide trimethyl phosphite complex; Iodo(trimethylphosphite)copper(I); 碘化亚铜三甲基亚磷酸络合物; 碘化铜(I)三甲基亚磷酸络合物; 碘化铜三甲基亚磷酸络合物; 碘代(三甲基亚磷酸)铜(I)

Database IDs

• CAS Number: 34836-53-8
• EC Number: 252-237-6
• MDL Number: MFCD00034815
• Beilstein Number: 3671063
• PubChem SID: 24860588; 24882084; 162228778
• PubChem CID: 15819646

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.90589994
• LogD (pH = 7.4): 0.9059
• Log P: 0.9059
• Molar Refractivity: 27.9767 cm^3
• Polarizability: 11.17346 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 192-193 °C (dec.); 192-193 °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

Product Information

• Purity: ≥99.0% (RT); 98%
• Linear Formula: CuI · P(OCH3)3

DETAILS

Sigma Aldrich - 61196

Other Notes
Preparation of copper enolates1; Alkylation of trimethylsilylvinyl aluminates.2