λ1-cobalt(1+) ion cyclopenta-2,4-dien-1-ide bis(methanidylidyneoxidanium)

• ChemBase ID: 146136
• Molecular Formular: C7H5CoO2
• Molecular Mass: 180.0466
• Monoisotopic Mass: 179.9621494
• SMILES: [C-]#[O+].[C-]#[O+].C1=C[CH-]C=C1.[Co+]
• Canonical SMILES: [CH-]1C=CC=C1.[C-]#[O+].[C-]#[O+].[Co+]
• InChI: InChI=1S/C5H5.2CO.Co/c1-2-4-5-3-1;2*1-2;/h1-5H;;;/q-1;;;+1
• InChIKey: YYRAULYCFRKMHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-cobalt(1+) ion cyclopenta-2,4-dien-1-ide bis(methanidylidyneoxidanium)
• IUPAC Traditional name: λ^1-cobalt(1+) ion bis(carbon monoxide) cyclopentadienide
• Synonyms: Cobalt dicarbonyl cyclopentadiene; CpCo(CO)2; Cyclopentadienylcobalt dicarbonyl; Cyclopentadienyldicarbonylcobalt; Cyclopentadienyl cobalt(I) dicarbonyl; Dicarbonylcyclopentadienyl cobalt(I); 羰基环戊二烯基钴; 二羰基环戊二烯基钴

Database IDs

• CAS Number: 12078-25-0
• EC Number: 235-139-8
• MDL Number: MFCD00009589
• PubChem SID: 162240335; 24854737
• PubChem CID: 12521422

CALCULATED PROPERTIES

• Acid pKa: 16.226988
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.499
• LogD (pH = 7.4): 1.499
• Log P: 2.248
• Molar Refractivity: 21.715 cm^3
• Polarizability: 8.791516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 139-140 °C/710 mmHg(lit.)
• Flash Point: 27 °C; 80.6 °F

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1992
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-23/24/25-40-42/43-68
• Safety Statements: 23-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301 + H311 + H331-H334-H341-H351
• GHS Precautionary statements: P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1992 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: technical grade
• Linear Formula: C5H5Co(CO)2

DETAILS

Sigma Aldrich - 245259

Application
Catalyst for the cyclotrimerization of alkynes.1
Mediates the [2+2+2]-cyclization of allenediynes to tricyclic systems.
Packaging
5, 25 g in ampule