Pyrazole
Synonym(s):1,2-Diazol;1,2-Diazole;Pyrazole
- CAS NO.:288-13-1
- Empirical Formula: C3H4N2
- Molecular Weight: 68.08
- MDL number: MFCD00005234
- EINECS: 206-017-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:15:30
What is Pyrazole?
Chemical properties
white to yellow crystals or crystalline powder
The Uses of Pyrazole
Pyrazole is used in organic synthesis and asa chelating agent.
Definition
ChEBI: 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.
General Description
Pyrazine is a heterocyclic crystalline aromatic compound with a five-membered ring containing three carbon atoms and two nitrogen atoms. It is a symmetricdiazine.
Hazard
Toxic by ingestion and inhalation, irritant to skin and eyes.
Health Hazard
The acute toxic symptoms from oral administrationof pyrazole in experimental animalswere ataxia, muscle weakness, and respiratorydepression. It is less toxic than pyrroleand pyrrolidine. The oral LD50 value in miceis within the range 1450 mg/kg.
Pyrazole exhibited reproductive toxicityin rats and mice when administered by oralor intraperitoneal route. The effects includefetal death, developmental abnormalities pertainingto the urogenital system, and postimplantationmortality.
Fire Hazard
Noncombustible solid.
Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Purification Methods
Crystallise pyrazole from pet ether, cyclohexane, or water. Its solubility in H2O at 9.6o is 2.7moles/L, and at 24.8o it is 19.4moles/L; in cyclohexane at 31.8o it is 0.577moles/L, and at 56.2o it is 5.86moles/L; and in benzene at 5.2o it is 0.31moles/L, and at 46.5o it is 16.8moles/1000mL. [Barszcz et al. J Chem Soc, Dalton Trans 2025 1986, Beilstein 23 H 39, 23 I 15, 23 II 33, 23 III/IV 550, 23/4 V 122.]
Properties of Pyrazole
Melting point: | 67-70 °C (lit.) |
Boiling point: | 186-188 °C (lit.) |
Density | 1.4088 (rough estimate) |
vapor pressure | 21Pa at 20℃ |
refractive index | 1.4203 |
Flash point: | 186-188°C |
storage temp. | Store below +30°C. |
solubility | Chloroform, Methanol |
form | Crystals or Crystalline Powder |
pka | 2.49(at 25℃) |
color | White to yellow |
Water Solubility | SOLUBLE |
Sensitive | Hygroscopic |
Merck | 14,7960 |
BRN | 103775 |
CAS DataBase Reference | 288-13-1(CAS DataBase Reference) |
NIST Chemistry Reference | 1H-Pyrazole(288-13-1) |
EPA Substance Registry System | Pyrazole (288-13-1) |
Safety information for Pyrazole
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 for Pyrazole
InChIKey | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
Pyrazole manufacturer
Dr. Silviu Pharmachem Pvt., Ltd.
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