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
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)
Safety
- Hazard Codes
- Xn
- Risk Statements
- 22-36/37/38
- Safety Statements
- 22-26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2933199090
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.
N-Bromosuccinimide Price
- Product number
- N0937
- Product name
- 3-Nitropyrazole
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $54
- Updated
- 2025/07/31
- Product number
- N0937
- Product name
- 3-Nitropyrazole
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $181
- Updated
- 2025/07/31
- Product number
- N546570
- Product name
- 3-Nitro-1H-pyrazole
- Packaging
- 5g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- CHM1052622
- Product name
- 3-NITROPYRAZOLE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $451.95
- Updated
- 2021/12/16
- Product number
- X0233
- Product name
- 3-Nitro-1H-pyrazole
- Packaging
- 500g
- Price
- $507
- Updated
- 2021/12/16
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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View Lastest Price from 3-Nitro-1H-pyrazole manufacturers
- 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