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Pyrazole

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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
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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
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
InChIKey
WTKZEGDFNFYCGP-UHFFFAOYSA-N
LogP
0.33 at 25℃
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)
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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
Toxicity
LD50 (24 hr) in rats, mice (mmol/kg): 19, 21 i.v.; 21, 22 orally (Magnussen)

MSDS

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Pyrazole Usage And Synthesis

Chemical Properties

white to yellow crystals or crystalline powder

Uses

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.]

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