Isobutyl nitrate
TL;DR: Isobutyl nitrate (CAS 543-29-3) is a chemical compound with molecular formula C4H9NO3 and molecular weight 119.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl nitrate
Also Known As: ISOBUTYL NITRATE, 2-methylpropyl nitrate, Isobutylnitrate, isobutylnitrat, Nitric acid, isobutyl ester
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H9NO3 |
| Molecular Weight | 119.05824 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.05824 Da |
| Heavy Atoms | 8 |
| Complexity | 75.0 |
| SMILES | CC(C)CO[N+](=O)[O-] |
| InChIKey | LNNXFUZKZLXPOF-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl nitrate is used in lubricant and fuel additive formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl nitrate (CAS 543-29-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isobutyl nitrate is a lubricant additive intermediate identified by CAS number 543-29-3 and the molecular formula C4H9NO3 and a molecular weight of 119.06 g/mol. It is also known as ISOBUTYL NITRATE and 2-methylpropyl nitrate.
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 Isobutyl nitrate
Property Insights of Isobutyl nitrate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, Isobutyl nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl nitrate 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 Isobutyl nitrate?
The CAS number of Isobutyl nitrate is 543-29-3.
What is the molecular formula of Isobutyl nitrate?
The molecular formula of Isobutyl nitrate is C4H9NO3.
What is the molecular weight of Isobutyl nitrate?
The molecular weight of Isobutyl nitrate is 119.05824 g/mol.
What are the applications of Isobutyl nitrate?
Isobutyl nitrate is used in lubricant and fuel additive formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl nitrate (CAS 543-29-3) with custom synthesis available from...
Where can I buy Isobutyl nitrate?
You can request a quote for Isobutyl nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl nitrate?
Yes, CoreyChem provides custom synthesis services for Isobutyl nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.