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Pyrazole Structure

Pyrazole

  • Product NamePyrazole
  • CAS288-13-1
  • CBNumberCB6689669
  • MFC3H4N2
  • MW68.08
  • EINECS206-017-1
  • MDL NumberMFCD00005234
  • MOL File288-13-1.mol

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
InChI 1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKey WTKZEGDFNFYCGP-UHFFFAOYSA-N
SMILES c1cn[nH]c1
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)

Safety

Symbol(GHS) 
GHS05,GHS06,GHS08
Signal word  Danger
Hazard statements  H302-H311-H315-H318-H373-H412
Precautionary statements  P273-P280-P301+P312-P302+P352+P312-P305+P351+P338-P314
target organs spleen,Thyroid
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  TSCA listed
HazardClass  6.1(b)
PackingGroup  III
HS Code  29331990
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Irrit. 2
STOT RE 1
Toxicity LD50 (24 hr) in rats, mice (mmol/kg): 19, 21 i.v.; 21, 22 orally (Magnussen)
Limited Quantities 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
1
2 0

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