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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:
288-13-1
Molecular Weight:
68.08
Beilstein:
103775
EC Number:
206-017-1
MDL number:
MFCD00005234
UNSPSC Code:
12352100
PubChem Substance ID:
24898689
NACRES:
NA.22

Quality Level

200

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.

Signal Word

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 Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000360292
0000360292
BCCM1784
0000244691
BCCK9523

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Heterocycles, 37, 2087-2087 (1994)
Transition Met. Chem. (London), 19, 165-165 (1994)
Maria Letizia Barreca et al.
Journal of medicinal chemistry, 56(6), 2270-2282 (2013-02-16)
The NS5B RNA-dependent RNA polymerase is an attractive target for the development of novel and selective inhibitors of hepatitis C virus replication. To identify novel structural hits as anti-HCV agents, we performed structure-based virtual screening of our in-house library followed
Xinfang Xu et al.
The Journal of organic chemistry, 78(4), 1583-1588 (2013-01-11)
A regiospecific synthesis of multifunctional pyrazoleshas been developed from a cascade process triggered by Rh(II)-catalyzed dinitrogen extrusion from enol diazoacetates with vinylogous nucleophilic addition followed by Lewis acid catalyzed cyclization and aromatization.
Cinzia Chiappe et al.
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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