CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid with an odor like pyridine; [Merck Index] Colorless crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Boiling Point | 187 °C |
| Melting Point | 68 °C |
| Solubility | 19400 mg/L (at 25 °C) |
| Vapor Pressure | 1.19 [mmHg] |
| LogP | 0.26 |
| Dissociation Constants | 2.48 (at 25 °C) |
| Collision Cross Section | 125.47 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 837 864 864 |
| Chemical Classes | Nitrogen Compounds -> Pyrazoles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H311:Acute toxicity,dermal H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H373:Specific target organ toxicity, repeated exposure H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 68.08 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 68.037448136 g/mol |
| Monoisotopic Mass | 68.037448136 g/mol |
| Topological Polar Surface Area | 28.7 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 28.1 |
| 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
1H-pyrazole is the 1H-tautomer of pyrazole. It is a conjugate base of a pyrazolium. It is a conjugate acid of a pyrazol-1-ide. It is a tautomer of a 3H-pyrazole and a 4H-pyrazole.