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HomeProduct name listPyrazole

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: 2024-11-20 17:10:30
Pyrazole Structural

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)
ghs
Corrosion
Corrosives
GHS05
ghs
Skull and Crossbones
Acute Toxicity
GHS06
ghs
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

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