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P56607

Sigma-Aldrich

Pyrazole

98%

Synonym(s):

1,2-Diazole

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About This Item

Empirical Formula (Hill Notation):
C3H4N2
CAS Number:
Molecular Weight:
68.08
Beilstein/REAXYS Number:
103775
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

98%

form

crystals

bp

186-188 °C (lit.)

mp

67-70 °C (lit.)

SMILES string

c1cn[nH]c1

InChI

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

InChI key

WTKZEGDFNFYCGP-UHFFFAOYSA-N

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Application

Used as a ligand to prepare organometallic compounds.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1

target_organs

spleen,Thyroid

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Transition Met. Chem. (London), 19, 165-165 (1994)
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The journal of physical chemistry. B, 117(2), 668-676 (2012-12-21)
Ionic liquids (ILs) composed of two different pyrazolium cations with dicyanamide and bis(trifluoromethanesulfonyl)imide anions have been synthesized and characterized by NMR, Kamlet-Taft solvatochromic parameters, conductivity and rheological measurements, as well as ab initio calculations. Density functional calculations for the two

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