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Merck
CN

P56607

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

Key Documents

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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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General description

Pyrazole is a five-membered heterocyclic compound containing two adjacent nitrogen atoms in the ring. Due to its versatile reactivity and ability to form various derivatives, pyrazole and its analogues are commonly used as building blocks in organic synthesis and as bifunctional ligands for metal catalysis.

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
0000166879

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Heterocycles, 37, 2087-2087 (1994)
Transition Met. Chem. (London), 19, 165-165 (1994)
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
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.
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