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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

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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Related Categories

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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Transition Met. Chem. (London), 19, 165-165 (1994)
Heterocycles, 37, 2087-2087 (1994)
Mohamed Jawed Ahsan et al.
Bioorganic & medicinal chemistry letters, 22(23), 7029-7035 (2012-10-27)
A series of 43, 3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide/carbothioamide analogues (D01-D43) were analysed using Petra, Osiris, Molinspiration and ALOGPS (POMA) to identify pharmacophore, toxicity prediction, lipophilicity and bioactivity. All the compounds were evaluated for anti-HIV activity. 3-(4-Chlorophenyl)-N-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (D07) was found to be the most
Mingzhen Mao et al.
Bioorganic & medicinal chemistry letters, 23(1), 42-46 (2012-12-12)
In an attempt to search for potent insecticides targeting the ryanodine receptor (RyR), a series of novel N-pyridylpyrazolecarboxamides containing cyano substituent in the ortho-position were designed and synthesized. Their insecticidal activities of target compounds against oriental armyworm (Mythimna separata) and
Javeed Ahmad Sheikh et al.
Inorganic chemistry, 52(17), 9717-9719 (2013-08-16)
A novel octadecanuclear copper pyrazolate-phosphonate nanocage with a bowl-shaped arrangement of the copper(II) centers in the asymmetric unit is reported. Characterization of intermediates in both solid and solution states aids to propose the mechanism of such a giant aggregation. Magnetic
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