Cas no 117820-80-1 (3,5-Dichloro-4-fluorobenzaldehyde)

3,5-Dichloro-4-fluorobenzaldehyde is a halogenated aromatic aldehyde with the molecular formula C?H?Cl?FO. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its distinct substitution pattern—featuring chlorine at the 3- and 5-positions and fluorine at the 4-position—enhances reactivity and selectivity in cross-coupling and nucleophilic substitution reactions. The aldehyde functional group allows for further derivatization, making it valuable for constructing complex molecular frameworks. High purity grades are available to meet stringent research and industrial requirements. The compound’s stability under standard conditions ensures reliable handling and storage.
3,5-Dichloro-4-fluorobenzaldehyde structure
117820-80-1 structure
Product Name:3,5-Dichloro-4-fluorobenzaldehyde
CAS No:117820-80-1
MF:C7H3Cl2FO
MW:193.00252366066
MDL:MFCD11845864
CID:827593
PubChem ID:14118322
Update Time:2025-06-08

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
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117820-80-1 95%
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¥ 290.00 2021-05-07
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abcr
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3,5-Dichloro-4-fluorobenzaldehyde Production Method

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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