Cas no 27996-87-8 (2-Fluoro-5-nitrobenzaldehyde)
2-Fluoro-5-nitrobenzaldehyde Chemical and Physical Properties
Names and Identifiers
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- 2-Fluoro-5-nitrobenzaldehyde
- 2-Fluoro-5-nitro-benzaldehyde
- 4-Fluoro-3-formylnitrobenzene
- 5-nitro-2-fluorobenzaldehyde
- Fluoro Nitrobenzaldehyde
- Benzaldehyde, 2-fluoro-5-nitro-
- PubChem1459
- ASISCHEM D51510
- 2-fluoro-5 nitrobenzaldehyde
- KSC494K5R
- PARAGOS 530043
- 2-fluoranyl-5-nitro-benzaldehyde
- VVXFDFQEIRGULC-UHFFFAOYSA-N
- WT1579
- SBB064390
- AKOS000104244
- 2-Fluoro-5-nitrobenzaldehyde, 97%
- SY009227
- DS-12545
- A5360
- Z1203159370
- AC-1180
- CS-W001207
- FT-0612367
- A819275
- BP-13367
- 27996-87-8
- F0618
- EN300-78177
- AM20040076
- DTXSID20370494
- J-509463
- MFCD00042298
- SCHEMBL349039
- DTXCID40321529
- DB-023867
-
- MDL: MFCD00042298
- Inchi: 1S/C7H4FNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
- InChI Key: VVXFDFQEIRGULC-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1C=O)[N+](=O)[O-]
- BRN: 1950329
Computed Properties
- Exact Mass: 169.01800
- Monoisotopic Mass: 169.018
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.3
- Topological Polar Surface Area: 62.9
Experimental Properties
- Color/Form: Not determined
- Density: 1.443
- Melting Point: 57.0 to 61.0 deg-C
- Boiling Point: 269.7°C at 760 mmHg
- Flash Point: 116.9℃
- Refractive Index: 1.59
- Water Partition Coefficient: It is insoluble in water.
- PSA: 62.89000
- LogP: 2.06960
- Solubility: water
- Sensitiveness: Air Sensitive
2-Fluoro-5-nitrobenzaldehyde Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:PG3
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36
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Hazardous Material Identification:
- Safety Term:S26;S36
- HazardClass:IRRITANT
- Storage Condition:Inert atmosphere,2-8°C
- Risk Phrases:R36/37/38
2-Fluoro-5-nitrobenzaldehyde Customs Data
- HS CODE:2913000090
- Customs Data:
China Customs Code:
2913000090Overview:
2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%
2-Fluoro-5-nitrobenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 454281-1G |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 97% | 1G |
¥670.77 | 2022-02-24 | |
| TRC | F401435-250mg |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 250mg |
$ 50.00 | 2022-06-02 | ||
| TRC | F401435-500mg |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 500mg |
$ 65.00 | 2022-06-02 | ||
| TRC | F401435-2.5g |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 2.5g |
$ 80.00 | 2022-06-02 | ||
| ChemScence | CS-W001207-25g |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 99.95% | 25g |
$46.0 | 2022-04-27 | |
| ChemScence | CS-W001207-100g |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 99.95% | 100g |
$130.0 | 2022-04-27 | |
| ChemScence | CS-W001207-500g |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 99.95% | 500g |
$496.0 | 2022-04-27 | |
| Fluorochem | 009221-1g |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 009221-5g |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 98% | 5g |
£13.00 | 2022-03-01 | |
| Fluorochem | 009221-10g |
2-Fluoro-5-nitrobenzaldehyde |
27996-87-8 | 98% | 10g |
£24.00 | 2022-03-01 |
2-Fluoro-5-nitrobenzaldehyde Suppliers
2-Fluoro-5-nitrobenzaldehyde Related Literature
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Léo Bucher,Sandrine Kappler-Gratias,Nicolas Desbois,Kerstin Bystricky,Franck Gallardo,Claude P. Gros RSC Med. Chem. 2020 11 771
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Akram Bagherinejad,Abdolali Alizadeh Org. Biomol. Chem. 2022 20 7188
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Shuai Zhu,Chunqi Chen,Mingyan Xiao,Liping Yu,Liang Wang,Jian Xiao Green Chem. 2017 19 5653
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4. Reactions of co-ordinated ligands. Part 10. Rhodium-catalysed cyclisation of 3-(2-fluorophenyl)propanols to chromansRoy P. Houghton,Martyn Voyle,Raymond Price J. Chem. Soc. Perkin Trans. 1 1984 925
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Karlie E. Cox,Christian Melander Med. Chem. Commun. 2019 10 1177
Additional information on 2-Fluoro-5-nitrobenzaldehyde
Recent Advances in the Application of 2-Fluoro-5-nitrobenzaldehyde (CAS: 27996-87-8) in Chemical Biology and Pharmaceutical Research
2-Fluoro-5-nitrobenzaldehyde (CAS: 27996-87-8) is a key intermediate in the synthesis of various bioactive molecules, particularly in the development of pharmaceuticals and agrochemicals. Recent studies have highlighted its versatility as a building block in organic synthesis, enabling the construction of complex molecular architectures with potential therapeutic applications. This research brief aims to summarize the latest advancements in the utilization of 2-Fluoro-5-nitrobenzaldehyde, focusing on its role in drug discovery, chemical biology, and material science.
One of the most notable applications of 2-Fluoro-5-nitrobenzaldehyde is in the synthesis of novel kinase inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its use in the development of selective FGFR (Fibroblast Growth Factor Receptor) inhibitors, which show promise in treating cancers with FGFR aberrations. The nitro and aldehyde functional groups in 2-Fluoro-5-nitrobenzaldehyde allow for facile derivatization, enabling the rapid generation of diverse compound libraries for high-throughput screening.
In chemical biology, researchers have exploited the reactivity of 2-Fluoro-5-nitrobenzaldehyde to create fluorescent probes for detecting reactive oxygen species (ROS) in cellular systems. A recent Nature Chemical Biology paper described a novel probe design where the aldehyde group forms a Schiff base with aminooxy-functionalized fluorophores, resulting in highly sensitive and selective ROS sensors. This application underscores the compound's utility in developing tools for studying oxidative stress-related diseases.
The pharmaceutical industry has also benefited from innovations in the scalable synthesis of 2-Fluoro-5-nitrobenzaldehyde. A 2024 Green Chemistry publication reported an improved catalytic process for its production, featuring higher yields (up to 92%) and reduced environmental impact compared to traditional methods. This advancement addresses the growing demand for sustainable manufacturing of key intermediates in drug development.
Emerging research has explored the use of 2-Fluoro-5-nitrobenzaldehyde in materials science, particularly in the synthesis of photoactive polymers. Its electron-withdrawing nitro group and the reactive aldehyde functionality make it an ideal monomer for constructing conjugated polymers with tunable optoelectronic properties. These materials show potential applications in organic electronics and sensing devices.
In conclusion, 2-Fluoro-5-nitrobenzaldehyde continues to be a valuable scaffold in multiple research domains. Its chemical versatility, coupled with recent synthetic improvements, ensures its ongoing relevance in drug discovery and materials development. Future research directions may focus on expanding its applications in targeted drug delivery systems and as a precursor for novel heterocyclic compounds with enhanced bioactivity.
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