Cas no 1763-28-6 (4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid)

4,4,4-Trifluoro-3-(trifluoromethyl)crotonic acid is a fluorinated unsaturated carboxylic acid characterized by its high reactivity due to the presence of electron-withdrawing trifluoromethyl and trifluoro groups. These substituents enhance its utility as a building block in organic synthesis, particularly in the preparation of fluorinated heterocycles and pharmaceuticals. The compound's strong electrophilic nature makes it valuable for Michael additions and other conjugate addition reactions. Its stability under various reaction conditions, combined with the influence of fluorine atoms on lipophilicity and metabolic stability, renders it advantageous for applications in medicinal chemistry and agrochemical research. The acid can also serve as a precursor for derivatives with tailored physicochemical properties.
4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid structure
1763-28-6 structure
Product Name:4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid
CAS No:1763-28-6
MF:C5H2F6O2
MW:208.058602809906
MDL:MFCD00013574
CID:182046
PubChem ID:15669
Update Time:2025-06-14

4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid Chemical and Physical Properties

Names and Identifiers

    • 4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enoic acid
    • 2-Butenoic acid,4,4,4-trifluoro-3-(trifluoromethyl)-
    • 4,4,4-Trifluoro-3-(trifluoromethyl)crotonic acid
    • 4,4,4-trifluoro-3-(trifluoromethyl) crotonic acid
    • SCHEMBL760435
    • A812175
    • J-011182
    • 4,4,4-trifluoro-3-trifluoromethylbut-2-enoic acid
    • EINECS 217-180-3
    • NS00046370
    • 8W5PUE36ZE
    • 1763-28-6
    • 4,4,4-tris(fluoranyl)-3-(trifluoromethyl)but-2-enoic acid
    • DTXSID30170109
    • 4,4,4-trifluoro-3-(trifluoromethyl)-2-butenoic acid
    • AKOS005257818
    • 3,3-Bis(trifluoromethyl)-2-propenoic acid
    • FT-0616967
    • 2-Butenoic acid, 4,4,4-trifluoro-3-(trifluoromethyl)-
    • MFCD00013574
    • 4,4,4-Trifluoro-3-trifluoromethyl-2-butenoic acid
    • DS-15343
    • BRN 1912186
    • 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoicacid
    • 2-BUTENOIC ACID, 4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-
    • G77380
    • DB-044257
    • STL557527
    • BBL103717
    • 4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid
    • MDL： MFCD00013574
    • Inchi： 1S/C5H2F6O2/c6-4(7,8)2(1-3(12)13)5(9,10)11/h1H,(H,12,13)
    • InChI Key： ZSBJCNVMTCMOBW-UHFFFAOYSA-N
    • SMILES： FC(/C(=C/C(=O)O)/C(F)(F)F)(F)F

Computed Properties

  • Exact Mass: 207.99600
  • Monoisotopic Mass: 207.995899
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 218
  • 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: 2.3
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Density: 1.577
  • Boiling Point: 222.4°C at 760 mmHg
  • Flash Point: 88.3°C
  • Refractive Index: 1.339
  • PSA: 37.30000
  • LogP: 2.12200

4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid Security Information

  • Signal Word：Danger
  • Hazard Statement： H314
  • Warning Statement： P280-P305+P351+P338-P310
  • Hazardous Material transportation number：UN 3265
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36
  • Hazardous Material Identification： C Xi
  • HazardClass：8
  • PackingGroup：Ⅲ
  • Storage Condition：Sealed in dry,2-8°C(BD91910)
  • Risk Phrases：R36/37/38

4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid Customs Data

  • HS CODE：2916190090
  • Customs Data：

    China Customs Code:

    2916190090

    Overview:

    2916190090 Other unsaturated acyclic monocarboxylic acids(Including its anhydride\Acyl halide,Peroxides and peroxyacids and their derivatives).Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.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

    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:

    2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

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4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1763-28-6)4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid
Order Number:A812175
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:07
Price ($):618.0/262.0

4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid Related Literature

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Additional information on 4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid

Comprehensive Overview of 4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid (CAS No. 1763-28-6)

4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid (CAS No. 1763-28-6) is a fluorinated organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and specialty materials. Its unique structure, featuring multiple trifluoromethyl groups, makes it a valuable intermediate in synthetic chemistry. Researchers and industry professionals often search for "fluorinated crotonic acid derivatives" or "CAS 1763-28-6 applications" due to its versatility in organic synthesis and material science.

The compound's molecular formula, C5H2F6O2, highlights its high fluorine content, which contributes to its stability and reactivity. This property aligns with the growing demand for "sustainable fluorochemicals" and "green chemistry alternatives," as industries seek eco-friendly solutions. The presence of both a carboxylic acid and trifluoromethyl groups enables diverse reactions, including esterifications, amide formations, and nucleophilic substitutions, making it a hotspot for "advanced synthetic methodologies."

In pharmaceutical research, 4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid is explored for its potential in drug design, particularly in modulating bioavailability and metabolic stability. Queries like "fluorine in drug discovery" and "CAS 1763-28-6 in medicinal chemistry" reflect its relevance. Its ability to enhance lipophilicity and resist oxidative degradation makes it a candidate for "targeted therapeutics" and "precision medicine" applications.

The agrochemical sector also benefits from this compound, as fluorinated molecules often exhibit improved pest resistance and environmental persistence. Searches for "fluorinated agrochemical intermediates" or "1763-28-6 crop protection" underscore its role in developing next-generation pesticides. Additionally, its use in "high-performance materials"—such as coatings and polymers—aligns with trends toward "durable industrial solutions."

From a technical standpoint, 4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid requires careful handling due to its reactivity, but its applications far outweigh challenges. Analytical techniques like NMR, HPLC, and mass spectrometry are commonly employed for characterization, addressing queries such as "how to analyze fluorinated compounds." Its synthesis often involves "fluorination strategies" or "multi-step organic reactions," topics frequently searched by chemists.

In conclusion, 4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid (CAS No. 1763-28-6) is a pivotal compound bridging innovation across industries. Its alignment with "sustainable chemistry," "drug development," and "material science" ensures its continued relevance in scientific and industrial advancements.

1763-28-6 (4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid) Related Products

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Amadis Chemical Company Limited
(CAS:1763-28-6)4,4,4-Trifluoro-3-(trifluoromethyl)crotonic Acid
A812175
Purity:99%/99%
Quantity:1g/5g
Price ($):618.0/262.0
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