Cas no 95656-51-2 (4-Amino-3-chloro-5-(trifluoromethyl)benzaldehyde)

4-Amino-3-chloro-5-(trifluoromethyl)benzaldehyde is a versatile aromatic aldehyde with a trifluoromethyl and chloro substitution pattern, making it a valuable intermediate in organic synthesis. The presence of both electron-withdrawing (trifluoromethyl, chloro) and electron-donating (amino) groups enhances its reactivity in nucleophilic and electrophilic reactions, facilitating the synthesis of complex heterocycles and pharmaceuticals. The trifluoromethyl group imparts metabolic stability and lipophilicity, which is advantageous in agrochemical and medicinal chemistry applications. Its high purity and well-defined structure ensure reproducibility in cross-coupling, condensation, and reductive amination reactions. This compound is particularly useful in the development of bioactive molecules, offering precise functionalization for tailored molecular design.
4-Amino-3-chloro-5-(trifluoromethyl)benzaldehyde structure
95656-51-2 structure
Product Name:4-Amino-3-chloro-5-(trifluoromethyl)benzaldehyde
CAS No:95656-51-2
MF:C8H5ClF3NO
MW:223.579611539841
MDL:MFCD07644631
CID:61793
PubChem ID:13020473
Update Time:2025-06-07

4-Amino-3-chloro-5-(trifluoromethyl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-3-chloro-5-(trifluoromethyl)benzaldehyde
    • 95656-51-2
    • AMY31520
    • AKOS005145843
    • FT-0656997
    • A845364
    • 4-Amino-3-chloro-5-trifluoromethylbenzaldehyde
    • SCHEMBL1205444
    • 4-amino-3-chloro-5-trifluoromethyl-benzaldehyde
    • AC-23684
    • DTXSID70515393
    • DB-028690
    • MDL: MFCD07644631
    • Inchi: 1S/C8H5ClF3NO/c9-6-2-4(3-14)1-5(7(6)13)8(10,11)12/h1-3H,13H2
    • InChI Key: IASKDXYOOLBEFF-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C=O)=CC(C(F)(F)F)=C1N

Computed Properties

  • Exact Mass: 223.00100
  • Monoisotopic Mass: 223.0011760g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 221
  • 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: 2.2
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.502
  • Boiling Point: 259.7°Cat760mmHg
  • Flash Point: 110.9°C
  • Refractive Index: 1.545
  • PSA: 43.09000
  • LogP: 3.33470

4-Amino-3-chloro-5-(trifluoromethyl)benzaldehyde Customs Data

  • HS CODE:2922399090
  • Customs Data:

    China Customs Code:

    2922399090

    Overview:

    2922399090 Other amino aldehydes\Amino ketones and their salts(Including aminoquinone and its salts,Except those containing more than one oxygen-containing group). 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, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-Amino-3-chloro-5-(trifluoromethyl)benzaldehyde Pricemore >>

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