26675-46-7
Product Name:
Isoflurane
Formula:
C3H2ClF5O
Synonyms:
1-Chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane;1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether;Isoflurane
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless liquid with a mild odor; [Merck Index] Musty ethereal odor; [Abbott Laboratories MSDS] |
|---|---|
| Color/Form | Clear, colorless liquid |
| Odor | Slight odor |
| Boiling Point | 48.5 °C |
| Melting Point | 48-48.5 |
| Solubility | 4470 mg/L (at 37 °C) |
| Density | Specific gravity: 1.45 |
| Vapor Pressure | 330.0 [mmHg] |
| LogP | 2.06 |
| Henry's Law Constant | Henry's Law constant = 2.87X10-2 atm-cu m/mol at 25 °C |
| Stability/Shelf Life | Isoflurane contains no additives and has been demonstrated to be stable at room temperature for periods in excess of five years. |
| Decomposition | When heated to decomposition it emits toxic fumes of /fluorine and chlorine/. |
| Refractive Index | Index of refraction: 1.3002 at 20 °C/D |
| Kovats Retention Index | 454 454 |
| Other Experimental Properties | Greenhouse Warming Potential = 0.03 (calculated; CFC-12 = 1) |
| Chemical Classes | Other Uses -> Waste Anesthetic Gases |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H336:Specific target organ toxicity,single exposure; Narcotic effects |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 184.49 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 183.9714332 g/mol |
| Monoisotopic Mass | 183.9714332 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 102 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isoflurane is an organofluorine compound. It has a role as an inhalation anaesthetic. It is functionally related to a methoxyethane.