Isopropyl nitrite
TL;DR: Isopropyl nitrite (CAS 541-42-4) is a chemical compound with molecular formula C3H7NO2 and molecular weight 89.047676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl nitrite
Also Known As: Isopropyl nitrite, propan-2-yl nitrite, 2-Propanol nitrite, ISOPROPYLNITRITE, 2-propyl nitrite
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H7NO2 |
| Molecular Weight | 89.047676 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 89.047676 Da |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
| SMILES | CC(C)ON=O |
| InChIKey | SKRDXYBATCVEMS-UHFFFAOYSA-N |
Product Description
Applications: Isopropyl nitrite is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isopropyl nitrite (CAS 541-42-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isopropyl nitrite is a organic building block identified by CAS number 541-42-4 and the molecular formula C3H7NO2 and a molecular weight of 89.05 g/mol. It is also known as Isopropyl nitrite and propan-2-yl nitrite.
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 Isopropyl nitrite
Property Insights of Isopropyl nitrite
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl nitrite. With a topological polar surface area (TPSA) of 38.7 Ų, Isopropyl nitrite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl nitrite 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 Isopropyl nitrite?
The CAS number of Isopropyl nitrite is 541-42-4.
What is the molecular formula of Isopropyl nitrite?
The molecular formula of Isopropyl nitrite is C3H7NO2.
What is the molecular weight of Isopropyl nitrite?
The molecular weight of Isopropyl nitrite is 89.047676 g/mol.
What are the applications of Isopropyl nitrite?
Isopropyl nitrite is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isopropyl...
Where can I buy Isopropyl nitrite?
You can request a quote for Isopropyl nitrite directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl nitrite?
Yes, CoreyChem provides custom synthesis services for Isopropyl nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.