λ1-copper(1+) ion tetrakis(acetonitrile) tetrafluoroboranuide

• ChemBase ID: 140347
• Molecular Formular: C8H12BCuF4N4
• Molecular Mass: 314.5582928
• Monoisotopic Mass: 314.03871218
• SMILES: [B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Cu+]
• Canonical SMILES: F[B-](F)(F)F.CC#N.CC#N.CC#N.CC#N.[Cu+]
• InChI: InChI=1S/4C2H3N.BF4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;;/q;;;;-1;+1
• InChIKey: YZGSKMIIVMCEFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-copper(1+) ion tetrakis(acetonitrile) tetrafluoroboranuide
• IUPAC Traditional name: λ^1-copper(1+) ion tetrakis(acetonitrile) tetrafluoroborate
• Synonyms: Copper(I) tetra(acetonitrile) tetrafluoroborate; Cu(MeCN)4BF4; Tetra(acetonitrile)copper(1+) tetrafluoroborate; Tetrakis(acetonitrile)copper(I) tetrafluoroborate; 四氟硼酸四乙氰铜

Database IDs

• CAS Number: 15418-29-8
• MDL Number: MFCD09265110
• PubChem SID: 24885403; 162234591
• PubChem CID: 10990673

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 3.1085358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C8H12BCuF4N4

DETAILS

Sigma Aldrich - 677892

Application
Catalyst in Diels-Alder and Ullmann reactions, intramolecular aromatic annulations, ring expansions in steroids, asymmetric aziridination of alkenes, substitution of allylic halides and mesylates, the Kharasch-Sosnovsky reaction.
Packaging
1, 5 g in poly bottle