1H-Pyrazole | CAS No. 288-13-1

1H-Pyrazole

Basic Information

CAS Number

288-13-1

Molecular Formula

C3H4N2

Molecular Weight

68.08 g/mol

AD

Basic Physical Properties

Melting Point

67-70 °C

Boiling Point

186-188 °C

Flash Point

186-188°C

Refractive Index

1.4203

C1=CNN=C1

InChI

InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)

InChIKey

WTKZEGDFNFYCGP-UHFFFAOYSA-N

LogP

0.40969999999999995

pKa

2.49(at 25℃)

Topological Polar Surface Area

28.68 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

28.1

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H315H315
H319H319
H335H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 (24 hr) in rats, mice (mmol/kg): 19, 21 i.v.; 21, 22 orally (Magnussen)

Synonyms & References

English

  • P0546
  • 3QD5KJZ7ZJ
  • C00481
  • s3093
  • CHEBI:17241
  • DTXSID2059774
  • NCI60_004054
  • Pyrazole; 1H-Pyrazole; 1,2-Diazole; 2-Azapyrrole; NSC 45410
  • FT-0658357
  • AI3-60151
  • NSC-45410
  • Q408908
  • BDBM50390969
  • EINECS 206-017-1
  • Z104507728
  • 1H-Pyrazole
  • BP-12835
  • Pyrazole, Vetec(TM) reagent grade, 98%
  • BCP26863
  • Pyrazole-
  • CS-W008829
  • 1,2-diazole
  • NS00014209
  • Pyrazol
  • P-8110
  • Pyrazole, purum, >=98.0% (GC)
  • 1H-pyrazol
  • InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5
  • UNII-3QD5KJZ7ZJ
  • PYRAZOLE [MI]
  • AKOS000121045

MDL Number

MFCD00005234

Customs Code

2933199090

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