Lot numbers can be found on the outside label of a product:
4-Nitropyrazole
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CAS No. 2075-46-9
- Cat. No. CS-W002458
- Purity≥98%
- MDL No.MFCD00159626
*For research and further manufacturing use only, not for direct human use.
Structure of 2075-46-9
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General Information
- CAS No. 2075-46-9
- Cat. No. CS-W002458
- Purity ≥98%
- MDL No. MFCD00159626
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₃H₃N₃O₂
- Molecular Weight 113.08
- Synonym(s) None
- SMILES O=[N+](C1=CNN=C1)[O-]
Description
4-Nitropyrazole features a nitro group at the para position relative to the pyrazole ring, imparting strong electron-withdrawing character and enhancing reactivity in heterocyclic synthesis. This bench-stable compound serves as a key intermediate in the development of bioactive molecules and functional materials.
Application
4-Nitropyrazole serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. The nitro group at the C4 position enables direct electrophilic substitution, facilitates subsequent reduction to an amine for further functionalization, and enhances reactivity in cross-coupling processes. Its bench-stable nature and compatibility with common protecting groups support efficient multi-step synthesis. This compound functions as a key scaffold for constructing bioactive molecules through well-established transformations.
Synthesis
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Route1
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In-stock
288-13-1 - ~90%
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In-stock
2075-46-9
References
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CURIS, INC.; QIAN, Changgeng; CAI, Xiong; ZHAI, Haixiao Patent: WO2010/75542 A1, 2010 ; Location in patent: Page/Page column 73 ;
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Route2
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In-stock
7119-95-1 - ~%
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In-stock
2075-46-9
References
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Chemische Berichte, , vol. 88, p. 1586,1590
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Route3
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181294-57-5 - ~88%
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In-stock
2075-46-9
References
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Nishiwaki, Nagatoshi; Ogihara, Takuma; Takami, Toshiko; Tamura, Mina; Ariga, Masahiro Journal of Organic Chemistry, 2004 , vol. 69, # 24 p. 8382 - 8386
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 1759
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H318
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Precautionary Statements : P264-P270-P280-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 71.82
- LogP 0.3179
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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