V900639
Pyrazole
Vetec™, reagent grade, 98%
Synonym(s):
1,2-Diazole
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About This Item
Empirical Formula (Hill Notation):
C3H4N2
CAS Number:
Molecular Weight:
68.08
EC Number:
206-017-1
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
103775
MDL number:
grade
reagent grade
product line
Vetec™
assay
98%
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
Legal Information
Vetec is a trademark of Merck KGaA, Darmstadt, Germany
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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
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Babasaheb P Bandgar et al.
Bioorganic & medicinal chemistry letters, 23(3), 912-916 (2013-01-08)
A series of novel pyrazole integrated benzophenones (9a-j) have been designed, synthesized from 1-methyl-5-(2,4,6-trimethoxy-phenyl)-1H-pyrazole 6. The structures of the regioisomers 6 and 7 were determined by 2D (1)H-(1)H COSY, (1)H-(13)C HSQC and (1)H-(13)C HMBC experiments. The newly synthesized compounds (9a-j)
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