Cas no 119197-25-0 (3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal)

3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal is a fluorinated and chlorinated unsaturated aldehyde with a phenyl substituent, offering versatile reactivity for synthetic applications. Its trifluoromethyl group enhances electrophilic character, while the chloro and aldehyde functionalities provide sites for further derivatization. This compound is particularly valuable in the synthesis of fluorinated heterocycles and as a building block for pharmaceuticals or agrochemicals due to its ability to introduce both fluorine and phenyl motifs. The conjugated enal system allows for selective transformations, including nucleophilic additions or cycloadditions. Its structural features make it a useful intermediate in organofluorine chemistry, enabling precise modifications for target molecule development.
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal structure
119197-25-0 structure
Product Name:3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
CAS No:119197-25-0
MF:C10H6ClF3O
MW:234.602252483368
CID:1208507
PubChem ID:53396122
Update Time:2025-10-25

3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetaldehyde, a-(1-chloro-2,2,2-trifluoroethylidene)-, (Z)-
    • 3-CHLORO-4,4,4-TRIFLUORO-2-PHENYL-BUT-2-ENAL
    • 3-CHLORO-3-TRIFLUOROMETHYL-2-PHENYLACROLEINE
    • 3-CHLORO-3-TRIFLUOROMETHYL-2-PHENYL-PROPEN-2-AL
    • 119197-25-0
    • SCHEMBL1800739
    • AS-9645
    • Benzeneacetaldehyde, alpha-(1-chloro-2,2,2-trifluoroethylidene)-, (alphaZ)-
    • (2Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal
    • 2-Phenyl-3-chloro-4,4,4-trifluoro-2-butenal
    • (Z)-3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
    • (I+/-Z)-I+/--(1-Chloro-2,2,2-trifluoroethylidene)benzeneacetaldehyde
    • FFGRIAPCGIYWJS-CMDGGOBGSA-N
    • AKOS037648055
    • DTXSID601179008
    • 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
    • Inchi: 1S/C10H6ClF3O/c11-9(10(12,13)14)8(6-15)7-4-2-1-3-5-7/h1-6H
    • InChI Key: FFGRIAPCGIYWJS-UHFFFAOYSA-N
    • SMILES: ClC(C(F)(F)F)=C(C=O)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 234.00598
  • Monoisotopic Mass: 234.0059270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 264
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 3.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal Security Information

3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C115990-500mg
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
119197-25-0
500mg
$ 645.00 2022-06-06
TRC
C115990-1000mg
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
119197-25-0
1g
$ 1075.00 2022-06-06
TRC
C115990-2500mg
3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal
119197-25-0
2500mg
$ 2145.00 2022-06-06
Key Organics Ltd
AS-9645-1g
(2Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal
119197-25-0 >95%
1g
£117.00 2025-02-08
Key Organics Ltd
AS-9645-10g
(2Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal
119197-25-0 >95%
10g
£845.00 2025-02-08
Key Organics Ltd
AS-9645-5g
(2Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enal
119197-25-0 >95%
5g
£468.00 2025-02-08

Additional information on 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal

Comprehensive Overview of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal (CAS No. 119197-25-0)

3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal is a specialized organic compound with significant applications in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a chloro and trifluoromethyl group attached to a phenyl ring, makes it a valuable intermediate in synthetic chemistry. The compound's CAS No. 119197-25-0 serves as a critical identifier for researchers and manufacturers, ensuring precise communication in scientific literature and regulatory documentation.

In recent years, the demand for fluorinated compounds like 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal has surged due to their enhanced stability and bioavailability. This trend aligns with the growing interest in sustainable chemistry and green synthesis, as researchers seek eco-friendly methods to produce such molecules. The compound's enantioselective properties also make it a focal point in asymmetric catalysis, a hot topic in modern organic chemistry.

The synthesis of 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal often involves palladium-catalyzed cross-coupling or electrophilic halogenation reactions, which are frequently discussed in academic forums and patent filings. Its α,β-unsaturated carbonyl moiety is particularly noteworthy, as it enables diverse derivatization pathways for drug discovery. This versatility has led to its exploration in bioconjugation and proteomics, addressing current challenges in targeted drug delivery.

From an industrial perspective, CAS No. 119197-25-0 is often referenced in high-throughput screening libraries due to its potential as a pharmacophore scaffold. Analytical techniques such as HPLC-MS and NMR spectroscopy are routinely employed to characterize its purity, reflecting the compound's importance in quality-by-design (QbD) initiatives. These methodologies resonate with the pharmaceutical industry's emphasis on process optimization and regulatory compliance.

Environmental considerations surrounding halogenated compounds have also placed 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal under scrutiny. Researchers are investigating its biodegradation pathways and ecotoxicological profile, topics frequently searched in environmental chemistry databases. Such studies align with global efforts to develop benign-by-design chemicals, a principle gaining traction in circular economy models.

In summary, 3-Chloro-4,4,4-trifluoro-2-phenylbut-2-enal exemplifies the intersection of structural complexity and functional utility in contemporary chemistry. Its CAS No. 119197-25-0 not only facilitates precise identification but also underscores its relevance in cutting-edge research areas like precision medicine and material science. As synthetic methodologies evolve, this compound will likely remain a subject of innovation and discovery.

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