Isobutyric anhydride
TL;DR: Isobutyric anhydride (CAS 97-72-3) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropanoyl 2-methylpropanoate
Also Known As: Isobutyric anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, Isobutyricanhydride, isobutanoic anhydride
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0943 Da |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
| Melting Point | -53.5 °C |
| Boiling Point | 181.5 °C @ 734 MM HG |
| Density | 0.9535 @ 20 °C/4 °C |
| Flash Point | 139 °F (NFPA, 2010) |
| Vapor Pressure | 0.5 [mmHg] |
| Refractive Index | SADTLER REF NUMBER: 11317 (IR, PRISM), V516 (NMR); INDEX OF REFRACTION: 1.4061 AT 20 °C/D |
| Solubility | SOL IN ALL PROP IN ETHER |
| SMILES | CC(C)C(=O)OC(=O)C(C)C |
| InChIKey | LSACYLWPPQLVSM-UHFFFAOYSA-N |
Product Description
Applications: Isobutyric anhydride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyric anhydride (CAS 97-72-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobutyric anhydride (CAS 97-72-3) is a heterocyclic building block with the molecular formula C8H14O3 and a molecular weight of 158.09 g/mol. Key physical properties include a density of 0.9535 @ 20 °C/4 °C g/cm³, a solubility: SOL IN ALL PROP IN ETHER. It is also known as Isobutyric anhydride and Isobutyric acid anhydride.
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 Isobutyric anhydride
Property Insights of Isobutyric anhydride
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyric anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, Isobutyric anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyric anhydride 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 Isobutyric anhydride?
The CAS number of Isobutyric anhydride is 97-72-3.
What is the molecular formula of Isobutyric anhydride?
The molecular formula of Isobutyric anhydride is C8H14O3.
What is the molecular weight of Isobutyric anhydride?
The molecular weight of Isobutyric anhydride is 158.0943 g/mol.
What are the applications of Isobutyric anhydride?
Isobutyric anhydride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyric anhydride (CAS 97-72-3)...
Where can I buy Isobutyric anhydride?
You can request a quote for Isobutyric anhydride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyric anhydride?
Yes, CoreyChem provides custom synthesis services for Isobutyric anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.