Cas no 93841-19-1 (Benzene,2,4-dimethyl-1-(trifluoromethyl)-)

Benzene,2,4-dimethyl-1-(trifluoromethyl)- structure
93841-19-1 structure
Product Name:Benzene,2,4-dimethyl-1-(trifluoromethyl)-
CAS No:93841-19-1
MF:C9H9F3
MW:174.162973165512
CID:805627
PubChem ID:3022605
Update Time:2025-04-26

Benzene,2,4-dimethyl-1-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene,2,4-dimethyl-1-(trifluoromethyl)-
    • 2,4-dimethyl-1-(trifluoromethyl)benzene
    • 2,4-Dimethylbenzotrifluoride
    • DTXSID10239763
    • MMNSBYZZXGPGEK-UHFFFAOYSA-N
    • QMVIIWMSXAQGKJ-UHFFFAOYSA-N
    • AEKDEQOJZLUABW-UHFFFAOYSA-N
    • MFCD14525505
    • 93841-19-1
    • SCHEMBL144686
    • FT-0686364
    • EINECS 298-989-9
    • NS00063324
    • 2,4-Dimethylbenzotrilfuoride
    • AKOS005258043
    • MDL: MFCD14525505
    • Inchi: 1S/C9H9F3/c1-6-3-4-8(7(2)5-6)9(10,11)12/h3-5H,1-2H3
    • InChI Key: MMNSBYZZXGPGEK-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(C)=CC=1C)(F)F

Computed Properties

  • Exact Mass: 174.06563477g/mol
  • Monoisotopic Mass: 174.06563477g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 150
  • 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: 3.5
  • Topological Polar Surface Area: 0?2

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Additional information on Benzene,2,4-dimethyl-1-(trifluoromethyl)-

Benzene,2,4-Dimethyl-1-(Trifluoromethyl) (CAS No. 93841-19-1)

Benzene,2,4-Dimethyl-1-(Trifluoromethyl), also known by its CAS number 93841-19-1, is a versatile organic compound with a unique structure and a wide range of applications in various industries. This compound is a derivative of benzene, a fundamental aromatic hydrocarbon, with substituents at the 2-, 4-, and 1-positions. The presence of methyl groups at positions 2 and 4 and a trifluoromethyl group at position 1 imparts distinctive chemical properties to this molecule.

The chemical structure of Benzene,2,4-Dimethyl-1-(Trifluoromethyl) consists of a benzene ring with two methyl groups (-CH?) attached at the ortho and para positions relative to the trifluoromethyl (-CF?) group. This arrangement creates a molecule with high symmetry and specific electronic characteristics. The trifluoromethyl group is highly electronegative due to the presence of three fluorine atoms, which can influence the reactivity and stability of the compound.

Recent studies have highlighted the importance of Benzene,2,4-Dimethyl-1-(Trifluoromethyl) in materials science and pharmaceutical research. Its ability to act as a building block for more complex molecules has made it valuable in synthesizing advanced materials such as polymers and coatings. Additionally, its unique electronic properties make it a promising candidate for use in organic electronics and optoelectronic devices.

In the pharmaceutical industry, Benzene,2,4-Dimethyl-1-(Trifluoromethyl) has been explored as an intermediate in drug synthesis. Its ability to undergo various chemical reactions, including nucleophilic substitution and electrophilic aromatic substitution, makes it highly versatile in creating bioactive compounds. Researchers have also investigated its potential as an inhibitor for certain enzymes involved in metabolic pathways.

The synthesis of Benzene,2,4-Dimethyl-1-(Trifluoromethyl) typically involves multi-step processes that include Friedel-Crafts alkylation or acylation followed by selective substitution reactions. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, reducing production costs and minimizing environmental impact.

In terms of physical properties, Benzene,2,4-Dimethyl-1-(Trifluoromethyl) is a crystalline solid with a melting point around 50°C and a boiling point above 200°C under standard conditions. Its solubility in common organic solvents such as dichloromethane and ethyl acetate makes it suitable for various laboratory applications.

The environmental impact of Benzene,2,4-Dimethyl-1-(Trifluoromethyl) has also been studied extensively. Research indicates that this compound has low toxicity to aquatic organisms when exposed to concentrations within regulatory limits. However, proper handling and disposal procedures are recommended to ensure minimal environmental impact.

In conclusion, Benzene,2,4-Dimethyl-1-(Trifluoromethyl) (CAS No. 93841-19-1) is a significant compound with diverse applications across multiple fields. Its unique chemical structure and reactivity make it an essential component in modern chemical synthesis. As research continues to uncover new potential uses for this compound, its role in advancing technology and medicine is expected to grow further.

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