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Merck
CN

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:
288-13-1
Molecular Weight:
68.08
EC Number:
206-017-1
UNSPSC Code:
12352100
PubChem Substance ID:
329769255
Beilstein/REAXYS Number:
103775
MDL number:
MFCD00005234

Key Documents

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InChI key

WTKZEGDFNFYCGP-UHFFFAOYSA-N

InChI

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

SMILES string

c1cn[nH]c1

grade

purum

assay

≥98.0% (GC)

bp

186-188 °C (lit.)

mp

66-70 °C, 67-70 °C (lit.)

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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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Roberta Zaninetti et al.
ChemMedChem, 8(4), 633-643 (2013-02-26)
Combretastatin A1 (CA1) binds to the β-subunit at the colchicine binding site of tubulin and inhibits polymerization. As such, it is both an antitumor agent and a vascular disrupting agent. It has been shown to be at least tenfold more
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)
Paloma Ovejero et al.
Dalton transactions (Cambridge, England : 2003), 42(6), 2107-2120 (2012-11-29)
New pyridine-functionalised pyrazole compounds [Hpz(R(n)py)] (R(n) = C(6)H(4)OC(n)H(2n+1); n = 12, 14, 16, 18; 1-4) and their corresponding silver complexes [Ag(Hpz(R(n)py))(2)][A] ([A] = NO(3)(-), BF(4)(-); ) have been synthesised and characterised. All of them, with the exception of 1, are
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