82620
Pyrazole
purum, ≥98.0% (GC)
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
purum
assay
≥98.0% (GC)
bp
186-188 °C (lit.)
mp
66-70 °C, 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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signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Irrit. 2 - STOT RE 2
Storage Class
6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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.
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
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)