Pyrazole

Pyrazole
  • CAS No.:288-13-1
Other grades of this product :
Pyrazole Basic information
Product Name:Pyrazole
Synonyms:Pyrazole, pure, 98%;Pyrrazole;Pyrazole ,99%;PYRAZOLE, 98%, PURE;2-PyrroMonazole;Pyrazole, pure, 98% 100GR;Pyrazole, pure, 98% 25GR;PYRAZOLE FOR SYNTHESIS 25 G
CAS:288-13-1
MF:C3H4N2
MW:68.08
EINECS:206-017-1
Product Categories:C3 to C5;Chemical Synthesis;Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines;Pyrazole;Heterocyclic Building Blocks;Pyrazoles;Building Blocks;bc0001;288-13-1
Mol File:288-13-1.mol
Pyrazole Chemical Properties
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
Fp 186-188°C
storage temp. Store below +30°C.
solubility Chloroform, Methanol
form Crystals or Crystalline Powder
pka2.49(at 25℃)
color White to yellow
Water Solubility SOLUBLE
Sensitive Hygroscopic
Merck 14,7960
BRN 103775
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-N
LogP0.33 at 25℃
CAS DataBase Reference288-13-1(CAS DataBase Reference)
NIST Chemistry Reference1H-Pyrazole(288-13-1)
EPA Substance Registry SystemPyrazole (288-13-1)
Safety Information
Hazard Codes Xn
Risk Statements 22-36/37/38-52-20/21/22
Safety Statements 26-36/37-61-37/39-36
RIDADR 2811
WGK Germany 1
RTECS UQ4900000
TSCA Yes
HazardClass 6.1(b)
PackingGroup III
HS Code 29331990
ToxicityLD50 (24 hr) in rats, mice (mmol/kg): 19, 21 i.v.; 21, 22 orally (Magnussen)
MSDS Information
ProviderLanguage
1H-Pyrazole English
ACROS English
SigmaAldrich English
ALFA English
Pyrazole Usage And Synthesis
Chemical Propertieswhite to yellow crystals or crystalline powder
UsesUsed as a ligand to prepare organometallic compounds.1,2
UsesChelating agent; in organic synthesis.
UsesPyrazole is used in organic synthesis and asa chelating agent.
DefinitionChEBI: The 1H-tautomer of pyrazole.
DefinitionA heterocyclic crystalline aromatic compound with a five-membered ring containing three carbon atoms and two nitrogen atoms.
Definitionpyrazole: An unsaturated heterocycliccompound having two nitrogenatoms in a five-membered ring,C3H4N2; m.p. 66–70°C; b.p. 168–188°C. Pyrazine is a symmetricdiazine.
HazardToxic by ingestion and inhalation, irritant to skin and eyes.
Health HazardThe 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 HazardNoncombustible solid.
Flammability and ExplosibilityNotclassified
Safety ProfileModerately toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Purification MethodsCrystallise 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.]

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