Cas no 712348-40-8 (5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid)

5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid is a heterocyclic compound featuring an isoxazole core substituted with a 2,4-dichlorophenyl group and a carboxylic acid functionality. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceutical and agrochemical research. The dichlorophenyl moiety enhances lipophilicity and potential bioactivity, while the carboxylic acid group allows for further derivatization via esterification, amidation, or other coupling reactions. Its well-defined molecular architecture makes it valuable for designing bioactive molecules, including enzyme inhibitors or receptor modulators. The compound is typically characterized by high purity and stability, ensuring reliable performance in experimental workflows.
5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid structure
712348-40-8 structure
Product Name:5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid
CAS No:712348-40-8
MF:C10H5Cl2NO3
MW:258.057600736618
MDL:MFCD04969804
CID:976223
PubChem ID:1302354
Update Time:2025-05-28

5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(2,4-DICHLORO-PHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID
    • 5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid
    • 3-isoxazolecarboxylic acid, 5-(2,4-dichlorophenyl)-
    • 5-(2,4-DICHLOROPHENYL)-3-ISOXAZOLECARBOXYLIC ACID
    • AKOS B020565
    • ART-CHEM-BB B020565
    • SALOR-INT L482544-1EA
    • UKRORGSYN-BB BBV-024487
    • VITAS-BB TBB008833
    • Z240119368
    • 5-(2,4-dichlorophenyl)isoxazole-3-carboxylicacid
    • A866477
    • EN300-83711
    • BS-29288
    • 5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxylic acid
    • F10468
    • SCHEMBL19815311
    • SY064097
    • FT-0761097
    • SR-01000283214-1
    • SR-01000283214
    • AKOS000139918
    • MFCD04969804
    • CS-0085316
    • 712348-40-8
    • BBL039948
    • STK349614
    • DB-023717
    • MDL： MFCD04969804
    • Inchi： 1S/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
    • InChI Key： JTPPKCXDMFYTFD-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C=CC=1C1=CC(C(=O)O)=NO1)Cl

Computed Properties

  • Exact Mass: 256.96500
  • Monoisotopic Mass: 256.9646484g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 277
  • 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: 3.1
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 458.2±45.0 °C at 760 mmHg
  • Flash Point: 230.9±28.7 °C
  • PSA: 63.33000
  • LogP: 3.34660
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid Security Information

5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-(2,4-Dichlorophenyl)isoxazole-3-carboxylic acid Pricemore >>

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