CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear light brown liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Vapor Pressure | 45.5 [mmHg] |
| Kovats Retention Index | 590 590 |
| Chemical Classes | Nitrogen Compounds -> Other Nitrogen Compounds |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H225:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
| Molecular Weight | 69.06 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 69.021463719 g/mol |
| Monoisotopic Mass | 69.021463719 g/mol |
| Topological Polar Surface Area | 26 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 30.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isoxazole is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of isoxazoles.