Cas no 1960-77-6 (2-Cyano-N-3-(trifluoromethyl)phenylacetamide)

2-Cyano-N-3-(trifluoromethyl)phenylacetamide is a specialized organic compound featuring a cyanoacetamide backbone substituted with a 3-(trifluoromethyl)phenyl group. This structure imparts unique reactivity and potential applications in agrochemical and pharmaceutical synthesis, particularly as an intermediate in the development of bioactive molecules. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the cyanoacetamide moiety offers versatility in further functionalization. Its high purity and well-defined chemical properties make it suitable for precision reactions in medicinal chemistry and crop protection research. The compound is typically handled under controlled conditions due to its sensitivity to moisture and strong bases.
2-Cyano-N-3-(trifluoromethyl)phenylacetamide structure
1960-77-6 structure
Product Name:2-Cyano-N-3-(trifluoromethyl)phenylacetamide
CAS No:1960-77-6
MF:C10H7F3N2O
MW:228.170592546463
CID:233879
PubChem ID:359806
Update Time:2025-11-01

2-Cyano-N-3-(trifluoromethyl)phenylacetamide Chemical and Physical Properties

Names and Identifiers

    • Acetamide,2-cyano-N-[3-(trifluoromethyl)phenyl]-
    • 2-Cyano-N-[3-(trifluoromethyl)phenyl]acetamide
    • SB80181
    • Maybridge1_002329
    • NSC-621366
    • Z56790586
    • 2-Cyano-N-(3-(trifluoromethyl)phenyl)acetamide
    • CHEMBL1966471
    • NSC621366
    • E74027
    • SR-01000398015
    • EN300-01288
    • J-509213
    • 2-Cyano-3'-(trifluoromethyl)acetanilide
    • DivK1c_001081
    • SCHEMBL5364771
    • MFCD00117941
    • CS-0196949
    • AKOS000115276
    • 9B-057
    • VVF
    • Acetamide, 2-cyano-N-[3-(trifluoromethyl)phenyl]-
    • DTXSID50326904
    • 2-Cyano-N-[3-(trifluoromethyl)phenyl]-acetamide
    • HMS548B19
    • CDS1_000041
    • NCI60_006240
    • 1960-77-6
    • A880111
    • FT-0680708
    • SR-01000398015-1
    • STK317963
    • 2-Cyano-5-(trifluoromethyl)acetanilide
    • 98012-92-1
    • 2-Cyano-N-3-(trifluoromethyl)phenylacetamide
    • MDL: MFCD00117941
    • Inchi: 1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16)
    • InChI Key: HYPXSLNQQNLJDY-UHFFFAOYSA-N
    • SMILES: FC(C1=CC=CC(=C1)NC(CC#N)=O)(F)F

Computed Properties

  • Exact Mass: 228.05100
  • Monoisotopic Mass: 228.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 305
  • 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: 3
  • Topological Polar Surface Area: 52.9A^2

Experimental Properties

  • Density: 1.375
  • Melting Point: 143-145°C
  • Boiling Point: 378.7°Cat760mmHg
  • Flash Point: 182.8°C
  • Refractive Index: 1.515
  • PSA: 52.89000
  • LogP: 2.63058

2-Cyano-N-3-(trifluoromethyl)phenylacetamide Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-Cyano-N-3-(trifluoromethyl)phenylacetamide Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. 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

    Summary:

    HS:2926909090 other nitrile-function compounds 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-Cyano-N-3-(trifluoromethyl)phenylacetamide

Introduction to 2-Cyano-N-3-(trifluoromethyl)phenylacetamide (CAS No. 1960-77-6)

2-Cyano-N-3-(trifluoromethyl)phenylacetamide, with the chemical formula C9H6FN2O, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, identified by its CAS number CAS No. 1960-77-6, is characterized by its unique structural features, including a cyano group and a trifluoromethyl substituent, which contribute to its distinct chemical properties and potential biological activities.

The presence of the cyano group in the molecule imparts a polar character, enhancing its solubility in polar solvents and facilitating interactions with biological targets. On the other hand, the trifluoromethyl group introduces electron-withdrawing effects, which can modulate the reactivity and selectivity of the compound in various chemical reactions. These structural attributes make 2-Cyano-N-3-(trifluoromethyl)phenylacetamide a valuable intermediate in the synthesis of more complex molecules, particularly in the development of novel pharmaceutical agents.

In recent years, there has been growing interest in the exploration of fluorinated compounds due to their enhanced metabolic stability, lipophilicity, and binding affinity to biological targets. The incorporation of fluorine atoms into drug molecules has been shown to improve their pharmacokinetic profiles, leading to more effective therapeutic outcomes. The trifluoromethyl group in 2-Cyano-N-3-(trifluoromethyl)phenylacetamide is a prime example of how fluorine substitution can significantly influence the properties of a compound.

The pharmaceutical industry has been actively investigating derivatives of 2-Cyano-N-3-(trifluoromethyl)phenylacetamide for their potential applications in treating various diseases. For instance, studies have demonstrated that modifications around this core structure can lead to compounds with anti-inflammatory, antiviral, and anticancer properties. The cyano group also serves as a versatile handle for further functionalization, allowing chemists to tailor the molecule for specific biological activities.

The synthesis of 2-Cyano-N-3-(trifluoromethyl)phenylacetamide typically involves multi-step organic reactions, starting from readily available precursors. One common synthetic route includes the condensation of 3-trifluoromethylbenzonitrile with acetamide derivatives under acidic or basic conditions. The reaction conditions can be optimized to achieve high yields and purity, making this compound accessible for further research and development.

The chemical properties of 2-Cyano-N-3-(trifluoromethyl)phenylacetamide also make it useful in materials science applications. For example, its ability to form hydrogen bonds and its moderate lipophilicity suggest potential uses in polymer chemistry and as a ligand in coordination complexes. Researchers are exploring its role in designing novel materials with specific functional properties.

In conclusion, 2-Cyano-N-3-(trifluoromethyl)phenylacetamide (CAS No. 1960-77-6) is a multifaceted compound with significant potential in pharmaceuticals and materials science. Its unique structural features and versatile reactivity make it a valuable building block for synthesizing more complex molecules with diverse applications. As research continues to uncover new uses for this compound, its importance in advancing scientific and technological innovation is likely to grow.

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