Cas no 422-39-9 (2,2-Dichloro-3,3,3-trifluoropropionic acid)

2,2-Dichloro-3,3,3-trifluoropropionic acid is a fluorinated organic compound characterized by its highly reactive carboxylic acid group and halogenated structure. This compound is primarily utilized as an intermediate in the synthesis of agrochemicals, pharmaceuticals, and specialty chemicals, owing to its ability to introduce trifluoromethyl and dichloromethyl functionalities into target molecules. Its strong electron-withdrawing properties enhance reactivity in nucleophilic substitution and condensation reactions. The compound's stability under controlled conditions and compatibility with various organic solvents make it a versatile reagent for fine chemical synthesis. Proper handling is required due to its corrosive nature and potential reactivity with strong bases or reducing agents.
2,2-Dichloro-3,3,3-trifluoropropionic acid structure
422-39-9 structure
Product Name:2,2-Dichloro-3,3,3-trifluoropropionic acid
CAS No:422-39-9
MF:C3HCl2F3O2
MW:196.940049886703
MDL:MFCD08146633
CID:82286
PubChem ID:329761659
Update Time:2025-05-28

2,2-Dichloro-3,3,3-trifluoropropionic acid Chemical and Physical Properties

Names and Identifiers

    • 2,2-Dichloro-3,3,3-trifluoropropionic acid
    • 2,2-dichloro-3,3,3-trifluoropropanoic acid
    • 2,2-DIBROMO-1-METHYL-CYCLOPROPANECARBOXYLIC ACID HYDRAZIDE
    • 2,2-Dichlor-3,3,3-trifluor-propionsaeure
    • Trifluor-2,2-dichlorpropionsaeure
    • CS-0452334
    • DTXSID50546564
    • MFCD08146633
    • OEOQSGPFZFSHBS-UHFFFAOYSA-N
    • 422-39-9
    • 2,2-Dichloro-3,3,3-trifluoropropionic acid, 97%
    • SCHEMBL10454353
    • AKOS005254461
    • FT-0677872
    • MDL: MFCD08146633
    • Inchi: 1S/C3HCl2F3O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
    • InChI Key: OEOQSGPFZFSHBS-UHFFFAOYSA-N
    • SMILES: ClC(C(=O)O)(C(F)(F)F)Cl

Computed Properties

  • Exact Mass: 195.93100
  • Monoisotopic Mass: 195.9305691g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 152
  • 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: 2.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.33
  • Melting Point: 26-34?°C
  • Boiling Point: 50-51?°C/15?mmHg
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: 1.3900
  • PSA: 37.30000
  • LogP: 1.80720
  • Solubility: Not available

2,2-Dichloro-3,3,3-trifluoropropionic acid Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305+P351+P338-P310
  • Hazardous Material transportation number:UN3265
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26; S36/37/39; S45
  • Hazardous Material Identification: Xi C
  • HazardClass:8
  • PackingGroup:II
  • Risk Phrases:R34
  • Packing Group:II
  • Packing Group:II

2,2-Dichloro-3,3,3-trifluoropropionic acid Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

2,2-Dichloro-3,3,3-trifluoropropionic acid Pricemore >>

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2,2-Dichloro-3,3,3-trifluoropropionic acid Related Literature

Additional information on 2,2-Dichloro-3,3,3-trifluoropropionic acid

Comprehensive Overview of 2,2-Dichloro-3,3,3-trifluoropropionic acid (CAS No. 422-39-9)

2,2-Dichloro-3,3,3-trifluoropropionic acid (CAS No. 422-39-9) is a fluorinated organic compound with significant applications in pharmaceuticals, agrochemicals, and specialty chemicals. Its unique molecular structure, featuring both chloro and trifluoromethyl groups, makes it a versatile intermediate in synthetic chemistry. The compound's CAS number 422-39-9 is frequently searched in scientific databases, reflecting its relevance in research and industrial processes.

The growing demand for fluorinated compounds in modern chemistry has placed 2,2-Dichloro-3,3,3-trifluoropropionic acid in the spotlight. Researchers often inquire about its synthesis methods, physical properties, and applications in drug development. With the rise of green chemistry and sustainable synthesis, this compound is also studied for its potential in environmentally friendly processes. Its thermal stability and reactivity are key topics in academic discussions.

In the pharmaceutical industry, 2,2-Dichloro-3,3,3-trifluoropropionic acid serves as a precursor for active pharmaceutical ingredients (APIs). Its trifluoromethyl group enhances the bioavailability and metabolic stability of drugs, a feature highly valued in medicinal chemistry. Recent studies highlight its role in developing antiviral agents and anti-inflammatory drugs, aligning with current health trends.

Agrochemical applications of CAS No. 422-39-9 include its use in herbicides and pesticides. The compound's ability to modify plant enzyme activity makes it effective in crop protection. As global agriculture shifts toward precision farming and sustainable pest control, this acid's derivatives are gaining attention for their efficiency and low environmental impact.

From a technical perspective, 2,2-Dichloro-3,3,3-trifluoropropionic acid exhibits notable solubility in polar solvents, which facilitates its use in catalytic reactions. Analytical techniques like NMR spectroscopy and mass spectrometry are commonly employed to characterize its purity and structure. These methods are critical for quality control in industrial production.

Environmental and safety considerations are paramount when handling 422-39-9. While not classified as hazardous under standard regulations, proper storage conditions and handling protocols are recommended to ensure workplace safety. The compound's biodegradability and ecotoxicity are subjects of ongoing research, particularly in the context of regulatory compliance.

Innovations in catalysis and process optimization have further expanded the utility of 2,2-Dichloro-3,3,3-trifluoropropionic acid. For example, its incorporation into flow chemistry systems has improved reaction yields and reduced waste. Such advancements align with the industry's push toward circular economy principles.

In summary, 2,2-Dichloro-3,3,3-trifluoropropionic acid (CAS No. 422-39-9) is a multifaceted compound with broad industrial relevance. Its applications span pharmaceuticals, agrochemicals, and advanced materials, driven by its unique chemical properties. As research continues to uncover new uses, this compound remains a focal point in organic synthesis and applied chemistry.

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