Cas no 188815-30-7 (3-Fluoro-5-(trifluoromethyl)benzaldehyde)
3-Fluoro-5-(trifluoromethyl)benzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3-fluoro-5-(trifluoromethyl)benzaldehyde
- alpha,alpha,alpha,5-Tetrafluoro-m-tolualdehyde
- 3-Fluoro-5-formylbenzotrifluoride
- 3-fluoro-5-trifluoromethylbenzaldehyde
- 5-Tetrafluoro-M-Tolualdehyde
- à,à,à,5-tetrafluoro-m-tolualdehyde
- 3-Fluoro-5-formylbenzotrifluoride, alpha,alpha,alpha,5-Tetrafluoro-m-tolualdehyde
- 3-Fluoro-5-(trifluoromethyl)benzaldehyde97%
- 3-Fluoro-5-(trifluoromethyl)benzaldehyde 97%
- Benzaldehyde, 3-fluoro-5-(trifluoromethyl)-
- UZZYXZWSOWQPIS-UHFFFAOYSA-N
- PubChem4239
- SBB063638
- 3-fluoro-5-trifluromethylbenzaldehyde
- DIHYDROABIETICACID
- 3-fluoro-5-trifluoromethyl-benzaldehyde
- CS-W015823
- AC-3852
- J-012169
- 188815-30-7
- AM61394
- F0774
- Z1203162012
- FT-0615700
- 3-fluoranyl-5-(trifluoromethyl)benzaldehyde
- DTXSID80345582
- AB02438
- EN300-114195
- AKOS005255061
- 3-fluoro-5-trifluoromethyl benzaldehyde
- MFCD00061312
- SY018434
- PS-8340
- 3-Fluoro-5-(trifluoromethyl)benzaldehyde, 97%
- A813273
- A1564
- SCHEMBL478113
- DTXCID70296655
- 3-Fluoro-5-(trifluoromethyl)benzaldehyde
-
- MDL: MFCD00061312
- Inchi: 1S/C8H4F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H
- InChI Key: UZZYXZWSOWQPIS-UHFFFAOYSA-N
- SMILES: FC(C1C=C(C=C(C=O)C=1)F)(F)F
- BRN: 9121754
Computed Properties
- Exact Mass: 192.02000
- Monoisotopic Mass: 192.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 189
- 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: 2.4
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: liquid
- Density: 1.376?g/mL?at 25?°C(lit.)
- Melting Point: No data available
- Boiling Point: 175?°C(lit.)
- Flash Point: Degrees Fahrenheit:158°F
Degrees Celsius:70°C - Refractive Index: n20/D 1.45(lit.)
- PSA: 17.07000
- LogP: 2.65700
- Sensitiveness: Air Sensitive
- Solubility: Not determined
3-Fluoro-5-(trifluoromethyl)benzaldehyde Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NA 1993 / PGIII
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Safety Term:S26;S36
- Risk Phrases:R36/37/38
- Storage Condition:Storage temperature 2-8 ℃
3-Fluoro-5-(trifluoromethyl)benzaldehyde 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%
3-Fluoro-5-(trifluoromethyl)benzaldehyde 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. | 529206-5G |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 5g |
¥758.34 | 2023-12-05 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | F810122-5g |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 98% | 5g |
212.40 | 2021-05-17 | |
| TRC | F599063-10mg |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | F599063-50mg |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 50mg |
$ 65.00 | 2022-06-04 | ||
| TRC | F599063-100mg |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 100mg |
$ 80.00 | 2022-06-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | F15310-5g |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 97% | 5g |
¥90.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | F15310-1g |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 97% | 1g |
¥27.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | F15310-25g |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 97% | 25g |
¥387.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | F15310-100g |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 97% | 100g |
¥1408.0 | 2023-09-07 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R016423-1g |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
188815-30-7 | 98% | 1g |
¥30 | 2024-05-25 |
3-Fluoro-5-(trifluoromethyl)benzaldehyde Suppliers
3-Fluoro-5-(trifluoromethyl)benzaldehyde Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
Additional information on 3-Fluoro-5-(trifluoromethyl)benzaldehyde
Professional Introduction to 3-Fluoro-5-(trifluoromethyl)benzaldehyde (CAS No. 188815-30-7)
3-Fluoro-5-(trifluoromethyl)benzaldehyde, with the CAS number 188815-30-7, is a fluorinated aromatic aldehyde that has garnered significant attention in the field of pharmaceutical and chemical research. This compound, characterized by its unique structural features, plays a crucial role in the synthesis of various biologically active molecules. The presence of both fluoro and trifluoromethyl substituents enhances its utility in medicinal chemistry due to the electron-withdrawing effects and metabolic stability imparted by these groups.
The fluoro group, in particular, is well-documented for its ability to modulate the pharmacokinetic and pharmacodynamic properties of drug candidates. It can improve lipophilicity, binding affinity, and resistance to enzymatic degradation. In contrast, the trifluoromethyl group is renowned for its role in enhancing binding interactions with biological targets, often leading to increased potency and selectivity. These attributes make 3-Fluoro-5-(trifluoromethyl)benzaldehyde a valuable intermediate in the development of novel therapeutic agents.
In recent years, there has been a surge in research focused on the applications of fluorinated compounds in drug discovery. The pharmaceutical industry has increasingly recognized the potential of these molecules in addressing unmet medical needs. For instance, studies have demonstrated that fluorinated aldehydes can serve as key building blocks in the synthesis of small-molecule inhibitors targeting various disease pathways. One notable area of interest is the development of kinase inhibitors, where fluorine-containing compounds have shown promise in improving drug efficacy and reducing side effects.
The structural motif of 3-Fluoro-5-(trifluoromethyl)benzaldehyde makes it particularly suitable for use in constructing complex molecular frameworks. The aldehyde functionality provides a reactive site for further derivatization, allowing chemists to explore diverse chemical transformations. This versatility has been exploited in the synthesis of heterocyclic compounds, which are prevalent in many modern pharmaceuticals. For example, researchers have utilized this compound to develop novel benzodiazepine derivatives with enhanced anxiolytic properties.
Advances in synthetic methodologies have further expanded the utility of 3-Fluoro-5-(trifluoromethyl)benzaldehyde. Modern techniques such as transition metal-catalyzed cross-coupling reactions have enabled efficient functionalization at specific positions on the aromatic ring. These methods have been instrumental in producing analogues with tailored biological activities. Additionally, computational chemistry approaches have been employed to predict and optimize the properties of fluorinated derivatives, streamlining the drug discovery process.
The impact of 3-Fluoro-5-(trifluoromethyl)benzaldehyde extends beyond academic research into industrial applications. Pharmaceutical companies have incorporated this compound into their libraries for lead optimization programs. Its structural features make it an attractive candidate for generating molecules with improved pharmacological profiles. Moreover, its stability under various reaction conditions ensures that it remains a reliable reagent throughout synthetic routes.
In conclusion, 3-Fluoro-5-(trifluoromethyl)benzaldehyde (CAS No. 188815-30-7) represents a significant advancement in fluorinated chemistry with broad implications for drug development. Its unique combination of substituents offers unparalleled opportunities for designing innovative therapeutic agents. As research continues to uncover new applications for this compound, its importance in medicinal chemistry is set to grow even further.
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