Isoflurane
TL;DR: Isoflurane (CAS 26675-46-7) is a chemical compound with molecular formula C3H2ClF5O and molecular weight 183.97144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
Also Known As: isoflurane, Forane, Forene, Aerrane, Isoflurano
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H2ClF5O |
| Molecular Weight | 183.97144 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.97144 Da |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
| Melting Point | 48-48.5 |
| Boiling Point | 48.5 |
| Density | Specific gravity: 1.45 |
| Vapor Pressure | 330.0 [mmHg] |
| Refractive Index | Index of refraction: 1.3002 at 20 °C/D |
| Solubility | 4470 |
| SMILES | C(C(F)(F)F)(OC(F)F)Cl |
| InChIKey | PIWKPBJCKXDKJR-UHFFFAOYSA-N |
Product Description
Applications: Isoflurane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Isoflurane is a pharmaceutical intermediate identified by CAS number 26675-46-7 and the molecular formula C3H2ClF5O and a molecular weight of 183.97 g/mol. Physically, the compound has a density of Specific gravity: 1.45 g/cm³, a solubility: 4470. Synonyms include isoflurane and Forane.
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 Isoflurane
Property Insights of Isoflurane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoflurane. With a topological polar surface area (TPSA) of 9.2 Ų, Isoflurane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoflurane has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoflurane?
The CAS number of Isoflurane is 26675-46-7.
What is the molecular formula of Isoflurane?
The molecular formula of Isoflurane is C3H2ClF5O.
What is the molecular weight of Isoflurane?
The molecular weight of Isoflurane is 183.97144 g/mol.
What are the applications of Isoflurane?
Isoflurane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isoflurane?
You can request a quote for Isoflurane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoflurane?
Yes, CoreyChem provides custom synthesis services for Isoflurane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.