Cas no 333444-49-8 (1-(2-chloro-6-fluorophenyl)methyl-4-nitro-1H-pyrazole)
1-(2-Chloro-6-fluorophenyl)methyl-4-nitro-1H-pyrazole is a fluorinated pyrazole derivative characterized by its nitro and chloro-fluoro substituted phenyl groups. This compound exhibits structural features that make it valuable in pharmaceutical and agrochemical research, particularly as an intermediate in the synthesis of biologically active molecules. The presence of both electron-withdrawing (nitro, fluoro, chloro) and aromatic groups enhances its reactivity in nucleophilic substitution and coupling reactions. Its well-defined molecular structure allows for precise modifications, facilitating the development of targeted compounds. The compound’s stability under standard conditions ensures reliable handling and storage, while its purity and consistency support reproducible results in synthetic applications.
333444-49-8 structure
Product Name:1-(2-chloro-6-fluorophenyl)methyl-4-nitro-1H-pyrazole
CAS No:333444-49-8
MF:C10H7ClFN3O2
MW:255.632884263992
MDL:MFCD02575856
CID:4646566
PubChem ID:846910
Update Time:2025-05-28
1-(2-chloro-6-fluorophenyl)methyl-4-nitro-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-[(2-chloro-6-fluorophenyl)methyl]-4-nitro-
- 1-(2-CHLORO-6-FLUOROBENZYL)-4-NITRO-1H-PYRAZOLE
- 1-(2-chloro-6-fluorophenyl)methyl-4-nitro-1H-pyrazole
-
- MDL： MFCD02575856
- Inchi： 1S/C10H7ClFN3O2/c11-9-2-1-3-10(12)8(9)6-14-5-7(4-13-14)15(16)17/h1-5H,6H2
- InChI Key： AEWOERYNXQSNFO-UHFFFAOYSA-N
- SMILES： N1(CC2=C(F)C=CC=C2Cl)C=C([N+]([O-])=O)C=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 401.5±40.0 °C at 760 mmHg
- Flash Point: 196.6±27.3 °C
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
1-(2-chloro-6-fluorophenyl)methyl-4-nitro-1H-pyrazole Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-(2-chloro-6-fluorophenyl)methyl-4-nitro-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 025663-1g |
1-(2-Chloro-6-fluoro-benzyl)-4-nitro-1H-pyrazole |
333444-49-8 | 1g |
￡210.00 | 2022-02-28 | ||
| Fluorochem | 025663-5g |
1-(2-Chloro-6-fluoro-benzyl)-4-nitro-1H-pyrazole |
333444-49-8 | 5g |
￡591.00 | 2022-02-28 | ||
| Apollo Scientific | PC410308-1g |
1-(2-Chloro-6-fluorobenzyl)-4-nitro-1H-pyrazole |
333444-49-8 | 1g |
￡265.00 | 2025-02-21 | ||
| Enamine | EN300-230305-0.05g |
1-[(2-chloro-6-fluorophenyl)methyl]-4-nitro-1H-pyrazole |
333444-49-8 | 95% | 0.05g |
$65.0 | 2024-06-20 | |
| Enamine | EN300-230305-0.1g |
1-[(2-chloro-6-fluorophenyl)methyl]-4-nitro-1H-pyrazole |
333444-49-8 | 95% | 0.1g |
$97.0 | 2024-06-20 | |
| Enamine | EN300-230305-0.25g |
1-[(2-chloro-6-fluorophenyl)methyl]-4-nitro-1H-pyrazole |
333444-49-8 | 95% | 0.25g |
$138.0 | 2024-06-20 | |
| Enamine | EN300-230305-0.5g |
1-[(2-chloro-6-fluorophenyl)methyl]-4-nitro-1H-pyrazole |
333444-49-8 | 95% | 0.5g |
$217.0 | 2024-06-20 | |
| Enamine | EN300-230305-1.0g |
1-[(2-chloro-6-fluorophenyl)methyl]-4-nitro-1H-pyrazole |
333444-49-8 | 95% | 1.0g |
$278.0 | 2024-06-20 | |
| Enamine | EN300-230305-2.5g |
1-[(2-chloro-6-fluorophenyl)methyl]-4-nitro-1H-pyrazole |
333444-49-8 | 95% | 2.5g |
$468.0 | 2024-06-20 | |
| Enamine | EN300-230305-5.0g |
1-[(2-chloro-6-fluorophenyl)methyl]-4-nitro-1H-pyrazole |
333444-49-8 | 95% | 5.0g |
$785.0 | 2024-06-20 |
1-(2-chloro-6-fluorophenyl)methyl-4-nitro-1H-pyrazole Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jason Wan Lab Chip, 2020,20, 4528-4538
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