Iron, (1,3-butadiene)tricarbonyl-
TL;DR: Iron, (1,3-butadiene)tricarbonyl- (CAS 12078-32-9) is a chemical compound with molecular formula C7H2FeO3 and molecular weight 189.93533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: Tricarbonylbutadiene iron, Butadiene iron tricarbonyl, Butadiene tricarbonyl iron, 1,3-Butadiene iron tricarbonyl, Tricarbonyl(1,3-butadiene)iron
Technical Specifications
| Molecular Formula | C7H2FeO3 |
| Molecular Weight | 189.93533 g/mol |
| XLogP | 0.46 |
| Topological Polar Surface Area (TPSA) | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.93533 Da |
| Heavy Atoms | 11 |
| Complexity | 12.0 |
| SMILES | [CH][C][C][CH].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe] |
| InChIKey | YKZYNZUXJMHMKZ-UHFFFAOYSA-N |
Product Description
Applications: Iron, (1,3-butadiene)tricarbonyl- is used in transition-metal catalysis, cross-coupling chemistry, and organometallic synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Iron, (1,3-butadiene)tricarbonyl- is a fine chemical identified by CAS number 12078-32-9 and the molecular formula C7H2FeO3 and a molecular weight of 189.94 g/mol. Synonyms include Tricarbonylbutadiene iron and Butadiene iron tricarbonyl.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Iron, (1,3-butadiene)tricarbonyl-
Property Insights of Iron, (1,3-butadiene)tricarbonyl-
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iron, (1,3-butadiene)tricarbonyl-. With a topological polar surface area (TPSA) of 3.0 Ų, Iron, (1,3-butadiene)tricarbonyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iron, (1,3-butadiene)tricarbonyl- has 0 hydrogen bond donor(s) and 3 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, (1,3-butadiene)tricarbonyl-?
The CAS number of Iron, (1,3-butadiene)tricarbonyl- is 12078-32-9.
What is the molecular formula of Iron, (1,3-butadiene)tricarbonyl-?
The molecular formula of Iron, (1,3-butadiene)tricarbonyl- is C7H2FeO3.
What is the molecular weight of Iron, (1,3-butadiene)tricarbonyl-?
The molecular weight of Iron, (1,3-butadiene)tricarbonyl- is 189.93533 g/mol.
What are the applications of Iron, (1,3-butadiene)tricarbonyl-?
Iron, (1,3-butadiene)tricarbonyl- is used in transition-metal catalysis, cross-coupling chemistry, and organometallic synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale),...
Where can I buy Iron, (1,3-butadiene)tricarbonyl-?
You can request a quote for Iron, (1,3-butadiene)tricarbonyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iron, (1,3-butadiene)tricarbonyl-?
Yes, CoreyChem provides custom synthesis services for Iron, (1,3-butadiene)tricarbonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.