Cas no 117820-80-1 (3,5-Dichloro-4-fluorobenzaldehyde)
3,5-Dichloro-4-fluorobenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Dichloro-4-fluorobenzaldehyde
- Benzaldehyde,3,5-dichloro-4-fluoro
- DB-304219
- SCHEMBL6904240
- EN300-185367
- DTXSID70556160
- Z1201625876
- AKOS006345553
- SY065793
- Benzaldehyde, 3,5-dichloro-4-fluoro-
- 117820-80-1
- 3,5-Dichloro-4-fluoro-benzaldehyde
- MFCD11845864
- AS-33052
-
- MDL: MFCD11845864
- Inchi: 1S/C7H3Cl2FO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
- InChI Key: HQMAHFRNJCBIGV-UHFFFAOYSA-N
- SMILES: ClC1C(=C(C=C(C=O)C=1)Cl)F
Computed Properties
- Exact Mass: 191.95400
- Monoisotopic Mass: 191.9544983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 141
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 1.493±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 254.9±35.0 oC (760 Torr),
- Flash Point: 108.0±25.9 oC,
- Solubility: Almost insoluble (0.025 g/l) (25 o C),
- PSA: 17.07000
- LogP: 2.94500
3,5-Dichloro-4-fluorobenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTYC1343-1 G |
3,5-dichloro-4-fluorobenzaldehyde |
117820-80-1 | 95% | 1g |
¥ 290.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTYC1343-5 G |
3,5-dichloro-4-fluorobenzaldehyde |
117820-80-1 | 95% | 5g |
¥ 877.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTYC1343-10 G |
3,5-dichloro-4-fluorobenzaldehyde |
117820-80-1 | 95% | 10g |
¥ 1,465.00 | 2021-05-07 | |
| Fluorochem | 037466-1g |
3,5-Dichloro-4-fluorobenzaldehyde |
117820-80-1 | 98% | 1g |
£52.00 | 2022-03-01 | |
| Fluorochem | 037466-5g |
3,5-Dichloro-4-fluorobenzaldehyde |
117820-80-1 | 98% | 5g |
£155.00 | 2022-03-01 | |
| Fluorochem | 037466-25g |
3,5-Dichloro-4-fluorobenzaldehyde |
117820-80-1 | 98% | 25g |
£462.00 | 2022-03-01 | |
| abcr | AB452528-1 g |
3,5-Dichloro-4-fluorobenzaldehyde, 95%; . |
117820-80-1 | 95% | 1g |
€146.00 | 2023-07-18 | |
| abcr | AB452528-5 g |
3,5-Dichloro-4-fluorobenzaldehyde, 95%; . |
117820-80-1 | 95% | 5g |
€323.30 | 2023-07-18 | |
| abcr | AB452528-25 g |
3,5-Dichloro-4-fluorobenzaldehyde; 95% |
117820-80-1 | 25g |
€742.00 | 2023-01-20 | ||
| Apollo Scientific | PC500504-1g |
3,5-Dichloro-4-fluorobenzaldehyde |
117820-80-1 | 98% | 1g |
£42.00 | 2025-02-21 |
3,5-Dichloro-4-fluorobenzaldehyde Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
Additional information on 3,5-Dichloro-4-fluorobenzaldehyde
Recent Advances in the Application of 3,5-Dichloro-4-fluorobenzaldehyde (CAS: 117820-80-1) in Chemical Biology and Pharmaceutical Research
3,5-Dichloro-4-fluorobenzaldehyde (CAS: 117820-80-1) is a key intermediate in the synthesis of various biologically active compounds, particularly in the development of pharmaceuticals and agrochemicals. Recent studies have highlighted its versatility as a building block for the construction of complex molecules with potential therapeutic applications. This research briefing aims to provide an overview of the latest advancements involving this compound, focusing on its role in drug discovery, chemical biology, and material science.
In the pharmaceutical sector, 3,5-Dichloro-4-fluorobenzaldehyde has been utilized as a precursor for the synthesis of novel kinase inhibitors and antimicrobial agents. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy in the development of selective JAK2 inhibitors, which show promise for treating myeloproliferative disorders. The compound's unique halogen substitution pattern contributes to enhanced binding affinity and metabolic stability in these drug candidates.
Recent synthetic methodology developments have expanded the utility of 117820-80-1 in organic transformations. Researchers at MIT reported in 2024 a novel palladium-catalyzed cross-coupling reaction using this aldehyde as a key substrate, enabling efficient construction of biaryl structures important in drug discovery. The study, published in ACS Catalysis, demonstrated remarkable yields (85-92%) and excellent functional group tolerance.
In materials science applications, 3,5-Dichloro-4-fluorobenzaldehyde has shown potential in the development of organic electronic materials. A Nature Materials publication (2024) described its use as a building block for novel conjugated polymers with exceptional charge transport properties. The electron-withdrawing nature of the substituents in this compound contributes to lowering the LUMO energy level of the resulting materials, making them particularly suitable for n-type organic semiconductors.
From a safety and regulatory perspective, recent toxicological studies (2023) have provided updated data on the compound's environmental fate and occupational exposure limits. The European Chemicals Agency (ECHA) has re-evaluated its classification, confirming it as a Category 2 skin irritant but noting its relatively low acute toxicity profile. These findings are important for industrial applications and laboratory handling procedures.
Looking forward, the unique chemical properties of 3,5-Dichloro-4-fluorobenzaldehyde continue to inspire innovative applications. Current research directions include its potential in PROTAC (proteolysis targeting chimera) development and as a scaffold for covalent inhibitor design. The compound's commercial availability from multiple suppliers (purity typically >98%) and well-established synthetic routes ensure its continued importance in chemical biology and pharmaceutical research.
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