Iron pentacarbonyl
TL;DR: Iron pentacarbonyl (CAS 13463-40-6) is a chemical compound with molecular formula C5FeO5 and molecular weight 195.90952 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
formaldehyde;iron
Also Known As: Iron carbonyl, Pentacarbonyliron, IRON PENTACARBONYL, Iron(0) pentacarbonyl, Pentacarbonyl iron
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5FeO5 |
| Molecular Weight | 195.90952 g/mol |
| XLogP | -1.99 |
| Topological Polar Surface Area (TPSA) | 85.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.90952 Da |
| Heavy Atoms | 11 |
| Complexity | 2.0 |
| Melting Point | -5.8 °F (EPA, 1998) |
| Boiling Point | 216.8 °F at 749 mmHg (EPA, 1998) |
| Density | 1.457 at 69.8 °F (EPA, 1998) - Denser than water; will sink |
| Flash Point | 5 °F (EPA, 1998) |
| Vapor Pressure | 40 mmHg at 86.54 °F (EPA, 1998) |
| Refractive Index | Index of refraction: 1.453 at 22 °C/D |
| Solubility | Insoluble (NIOSH, 2024) |
| SMILES | [C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[Fe] |
| InChIKey | FYOFOKCECDGJBF-UHFFFAOYSA-N |
Chemical Property Profile of Iron pentacarbonyl
Property Insights of Iron pentacarbonyl
The XLogP value of -1.99 indicates that Iron pentacarbonyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Iron pentacarbonyl. Following Lipinski's Rule of Five, Iron pentacarbonyl has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Iron pentacarbonyl?
The CAS number of Iron pentacarbonyl is 13463-40-6.
What is the molecular formula of Iron pentacarbonyl?
The molecular formula of Iron pentacarbonyl is C5FeO5.
What is the molecular weight of Iron pentacarbonyl?
The molecular weight of Iron pentacarbonyl is 195.90952 g/mol.
Where can I buy Iron pentacarbonyl?
You can request a quote for Iron pentacarbonyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iron pentacarbonyl?
Yes, CoreyChem provides custom synthesis services for Iron pentacarbonyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.