ChemicalBook > CAS DataBase List > 3-Nitro-1H-pyrazole

3-Nitro-1H-pyrazole

Product Name
3-Nitro-1H-pyrazole
CAS No.
26621-44-3
Chemical Name
3-Nitro-1H-pyrazole
Synonyms
5-NITRO-1H-PYRAZOLE;3-nitropyrazole;VITAS-BB TBB000666;Pyrazole, 3-nitro-;3(5)-Nitropyrazole;5-Nitro-1H-pyrazol;3-Nitro-1H-pyrazoL;3-Nitropyrazole>3-Nitro-1H-pyrazole;1H-Pyrazole, 3-nitro-
CBNumber
CB7744572
Molecular Formula
C3H3N3O2
Formula Weight
113.07
MOL File
26621-44-3.mol
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3-Nitro-1H-pyrazole Property

Melting point:
173-175 °C
Boiling point:
334.0±15.0 °C(Predicted)
Density 
1.552±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
soluble in Methanol
form 
powder to crystal
pka
8.32±0.10(Predicted)
color 
White to Orange to Green
InChI
InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)
InChIKey
MZRUFMBFIKGOAL-UHFFFAOYSA-N
SMILES
N1C=CC([N+]([O-])=O)=N1
CAS DataBase Reference
26621-44-3(CAS DataBase Reference)
NIST Chemistry Reference
3(5)-nitropyrazole(26621-44-3)
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Safety

Hazard Codes 
Xn
Risk Statements 
22-36/37/38
Safety Statements 
22-26-36/37/39
HazardClass 
IRRITANT
HS Code 
2933199090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TCI Chemical
Product number
N0937
Product name
3-Nitropyrazole
Purity
>98.0%(GC)
Packaging
1g
Price
$54
Updated
2025/07/31
TCI Chemical
Product number
N0937
Product name
3-Nitropyrazole
Purity
>98.0%(GC)
Packaging
5g
Price
$181
Updated
2025/07/31
TRC
Product number
N546570
Product name
3-Nitro-1H-pyrazole
Packaging
5g
Price
$45
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM1052622
Product name
3-NITROPYRAZOLE
Purity
95.00%
Packaging
5MG
Price
$451.95
Updated
2021/12/16
AK Scientific
Product number
X0233
Product name
3-Nitro-1H-pyrazole
Packaging
500g
Price
$507
Updated
2021/12/16
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3-Nitro-1H-pyrazole Chemical Properties,Usage,Production

Chemical Properties

light brown powder

Uses

3-Nitro-1H-pyrazole is a pyrazole compound with a nitro functional group, widely used in organic synthesis. The substance can be used in reaction systems such as substitution, nitration or condensation for the preparation of other heterocyclic compounds.

Synthesis

7119-95-1

26621-44-3

The general procedure for the synthesis of 3-nitro-1H-pyrazole from 1-nitropyrazole is as follows: Step A: 1-nitropyrazole (3.45 g, 30.5 mmol) was mixed with benzonitrile (33 mL) and heated with stirring at 180 °C for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature, diluted with hexane and stirring was continued for 20 min at room temperature. The precipitated solid was collected by filtration to afford 3-nitro-1H-pyrazole as a tan solid (3.16 g, 91% yield). Product characterization data: 1H NMR (300 MHz, DMSO-d6) δ 13.94 (br s, 1H), 8.03 (d, J = 2.4 Hz, 1H), 7.03 (t, J = 2.4 Hz, 1H).

References

[1] Archiv der Pharmazie, 1995, vol. 328, # 4, p. 349 - 358
[2] Patent: WO2010/29461, 2010, A1. Location in patent: Page/Page column 63-64
[3] Patent: WO2012/30944, 2012, A2. Location in patent: Page/Page column 97
[4] Patent: US2012/53174, 2012, A1. Location in patent: Page/Page column 45
[5] Patent: WO2012/30924, 2012, A1. Location in patent: Page/Page column 124

3-Nitro-1H-pyrazole Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Nitro-1H-pyrazole Suppliers

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View Lastest Price from 3-Nitro-1H-pyrazole manufacturers

Career Henan Chemical Co
Product
3-Nitro-1H-pyrazole 26621-44-3
Price
US $8.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
10tons
Release date
2018-12-23

26621-44-3, 3-Nitro-1H-pyrazoleRelated Search:

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