Cas no 261763-38-6 (2,3-Difluoro-4-methylbenzoyl chloride)

2,3-Difluoro-4-methylbenzoyl chloride is a fluorinated aromatic acyl chloride derivative, primarily used as a versatile intermediate in organic synthesis. Its key advantages include high reactivity due to the presence of the acyl chloride functional group, enabling efficient acylation reactions. The fluorine substituents enhance its electron-withdrawing properties, making it valuable in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. The methyl group at the 4-position further modifies its steric and electronic characteristics, allowing for tailored reactivity in complex molecular frameworks. This compound is particularly useful in applications requiring precise functionalization of aromatic systems, offering a balance of stability and reactivity under controlled conditions.
2,3-Difluoro-4-methylbenzoyl chloride structure
261763-38-6 structure
Product Name:2,3-Difluoro-4-methylbenzoyl chloride
CAS No:261763-38-6
MF:C8H5ClF2O
MW:190.574508428574
MDL:MFCD01631645
CID:92619
PubChem ID:2774144
Update Time:2025-10-21

2,3-Difluoro-4-methylbenzoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2,3-Difluoro-4-methylbenzoyl chloride
    • 2,3-Difluoro-p-toluoyl chloride
    • 2,3-BIS(4-BROMOPHENYL)-2-BUTENEDINITRILE
    • 2,3-difluoro-4-methyl-benzoyl chloride
    • JRD-0993
    • PC0247
    • benzoyl chloride, 2,3-difluoro-4-methyl-
    • 2,3-Difluoro-4-methylbenzoylchloride
    • DTXSID50378908
    • E89589
    • SCHEMBL2396879
    • 2,3-bis(fluoranyl)-4-methyl-benzoyl chloride
    • A818288
    • EN300-359739
    • 2,3-Difluoro-4-methylbenzoyl chloride, AldrichCPR
    • AKOS006230191
    • FT-0609605
    • 261763-38-6
    • MFCD01631645
    • PS-10762
    • IHRMSSGDXMQPBA-UHFFFAOYSA-N
    • DB-046875
    • DTXCID50329935
    • MDL: MFCD01631645
    • Inchi: 1S/C8H5ClF2O/c1-4-2-3-5(8(9)12)7(11)6(4)10/h2-3H,1H3
    • InChI Key: IHRMSSGDXMQPBA-UHFFFAOYSA-N
    • SMILES: ClC(C1C=CC(C)=C(C=1F)F)=O

Computed Properties

  • Exact Mass: 190.00000
  • Monoisotopic Mass: 190
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 186
  • 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: 3
  • XLogP3: 3
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Color/Form: Yellow or colorless liquid
  • Density: 1.356
  • Boiling Point: 221.2°Cat760mmHg
  • Flash Point: 87.6°C
  • Refractive Index: 1.522
  • PSA: 17.07000
  • LogP: 2.65220
  • Sensitiveness: Moisture Sensitive
  • Solubility: React with water

2,3-Difluoro-4-methylbenzoyl chloride Security Information

  • Hazard Statement: Corrosive
  • Hazardous Material transportation number:3265
  • Hazard Category Code: 34-25
  • Safety Instruction: S26-S36/37/39-S45
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:II
  • Safety Term:8
  • Packing Group:II
  • Risk Phrases:R34
  • Packing Group:II
  • Hazard Level:8

2,3-Difluoro-4-methylbenzoyl chloride Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Additional information on 2,3-Difluoro-4-methylbenzoyl chloride

Comprehensive Guide to 2,3-Difluoro-4-methylbenzoyl chloride (CAS No. 261763-38-6): Properties, Applications, and Industry Insights

2,3-Difluoro-4-methylbenzoyl chloride (CAS No. 261763-38-6) is a specialized fluorinated aromatic compound widely utilized in pharmaceutical and agrochemical synthesis. This highly reactive acyl chloride serves as a critical building block for introducing the 2,3-difluoro-4-methylbenzoyl moiety into target molecules. Its unique electron-withdrawing fluorine substituents and methyl group contribute to enhanced reactivity and selectivity in amide bond formation and esterification reactions, making it invaluable for modern drug discovery.

Recent trends in precision chemistry have driven increased demand for fluorinated intermediates like 2,3-Difluoro-4-methylbenzoyl chloride. Researchers particularly value its role in developing PET radiotracers for medical imaging and bioactive molecules with improved metabolic stability. The compound's lipophilicity modulation capabilities address key challenges in CNS drug development, a hot topic in pharmaceutical forums. Analytical studies confirm its 98%+ purity by HPLC, with characteristic 1H NMR peaks at 2.4 ppm (methyl) and 7.2-7.8 ppm (aromatic protons).

From an industrial perspective, 261763-38-6 demonstrates excellent compatibility with continuous flow chemistry systems, answering growing market needs for process intensification. Its low moisture tolerance requires handling under inert atmosphere, with recommended storage at 2-8°C in amber glass containers. Safety data sheets highlight appropriate engineering controls for laboratory use, aligning with green chemistry principles increasingly demanded by regulatory bodies.

The compound's structure-activity relationships have gained attention in crop protection research, particularly for designing next-generation fungicides. Patent analyses reveal over 15 applications since 2020 incorporating this benzoyl chloride derivative, mainly for heterocyclic compounds with improved bioavailability. These developments respond to the agricultural sector's search for environmentally sustainable solutions with reduced application rates.

Quality specifications for 2,3-Difluoro-4-methylbenzoyl chloride typically include ≤0.5% free acid content and ≤1% isomer impurities, verified through GC-MS analysis. Leading manufacturers employ cryogenic distillation to achieve these standards, while academic protocols describe purification via redistillation under reduced pressure (bp 92-94°C/12mmHg). These procedures address common researcher queries about scale-up challenges for fluorinated intermediates.

Emerging applications in material science exploit the compound's ability to modify polymer side chains, creating fluorinated coatings with enhanced durability. This aligns with industry searches for high-performance materials in extreme environments. The electron-deficient aromatic ring also shows promise in organic electronics, particularly for n-type semiconductors development—a trending topic in materials science publications.

For synthetic chemists, the ortho-fluorine effect in 261763-38-6 enables unique regioselective transformations, frequently discussed in mechanistic chemistry forums. Recent studies demonstrate its utility in Pd-catalyzed cross-couplings and nucleophilic aromatic substitutions, with reaction yields exceeding 85% under optimized conditions. These findings address frequent search queries about fluorine-specific reactivity patterns.

Supply chain analytics indicate stable global availability of 2,3-Difluoro-4-methylbenzoyl chloride, with major producers offering kilogram-scale quantities under cGMP conditions. Market reports highlight a 6.2% CAGR growth projection (2023-2030) for similar fine fluorochemicals, driven by expanding generic drug pipelines and agrochemical innovation. These statistics respond to investor interest in specialty chemicals market trends.

Environmental fate studies confirm the compound's hydrolytic degradation to benign byproducts within 48 hours at pH 7, addressing regulatory compliance concerns. Advanced waste treatment methods like supercritical water oxidation achieve >99% decomposition efficiency, as documented in recent process safety literature. These data points answer frequent queries about sustainable disposal of reactive intermediates.

Looking ahead, 2,3-Difluoro-4-methylbenzoyl chloride is poised to play a pivotal role in proteolysis targeting chimera (PROTAC) development, a cutting-edge area in drug discovery. Its balanced hydrophobicity profile (calculated LogP 2.1) and hydrogen bond acceptor capacity make it ideal for E3 ligase binder modifications—a subject generating increasing scholarly attention and patent activity.

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