CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pellets or Large Crystals |
|---|---|
| Vapor Pressure | 0.14 [mmHg] |
| Kovats Retention Index | 1010 1010 |
| Chemical Classes | Nitrogen Compounds -> Pyrazoles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P314:Get medical advice/attention if you feel unwell. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 96.13 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 96.068748264 g/mol |
| Monoisotopic Mass | 96.068748264 g/mol |
| Topological Polar Surface Area | 28.7 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 63.1 |
| 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
3,5-Dimethylpyrazole belongs to the class of organic compounds known as pyrazoles. Pyrazoles are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. It was prepared from acetylacetone and hydrazine hydrate in ethanol or sulfate in aqueous alkali. It is an essential fine chemical product with high added value. It was recently used as the ligand to study the synthesis and structure of trimethylacetato complexes of zinc, copper, nickel, and cobalt. And more, 3,5-dimethylpyrazole is a most satisfactory reagent for the gravimetric determination of cobalt. As a hypoglycemic agent, 3,5-dimethylpyrazole was found to be fifty-four times more potent orally than tolbutamide in glucose-injected, fasted-intact rats. In addition, the use of 3,5-dimethylpyrazole as a blocking agent for isocyanates is known.