iodocopper; triethyl phosphite

• ChemBase ID: 144204
• Molecular Formular: C6H15CuIO3P
• Molecular Mass: 356.605731
• Monoisotopic Mass: 355.90995147
• SMILES: CCOP(OCC)OCC.[Cu]I
• Canonical SMILES: CCOP(OCC)OCC.I[Cu]
• InChI: InChI=1S/C6H15O3P.Cu.HI/c1-4-7-10(8-5-2)9-6-3;;/h4-6H2,1-3H3;;1H/q;+1;/p-1
• InChIKey: IVPQRWLSGJFSTC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iodocopper; triethyl phosphite
• IUPAC Traditional name: copper(I) iodide; triethyl phosphite
• Synonyms: Copper(I) iodide-triethyl phosphite; Iodo(triethyl phosphite)copper(I)

Database IDs

• CAS Number: 51717-23-8
• MDL Number: MFCD00074947
• PubChem SID: 162238421
• PubChem CID: 11783241

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9333991
• LogD (pH = 7.4): 1.9334
• Log P: 1.9334
• Molar Refractivity: 42.2225 cm^3
• Polarizability: 16.630682 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110-116 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H16CuIO3P

DETAILS

Sigma Aldrich - 735116

Packaging
1, 5 g in glass bottle