Cas no 90390-49-1 (3-Chloro-5-fluorobenzaldehyde)

3-Chloro-5-fluorobenzaldehyde (CAS: 823-92-7) is a halogenated aromatic aldehyde with the molecular formula C?H?ClFO. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its distinct substitution pattern, featuring both chloro and fluoro groups at the 3- and 5-positions, enhances reactivity and selectivity in cross-coupling reactions, nucleophilic substitutions, and other transformations. The electron-withdrawing effects of the halogens improve its utility in forming heterocyclic compounds and fine chemicals. With high purity and stability under standard conditions, it is a reliable building block for researchers developing advanced molecular structures. Proper handling and storage are recommended due to its aldehyde functionality.
3-Chloro-5-fluorobenzaldehyde structure
3-Chloro-5-fluorobenzaldehyde structure
Product Name:3-Chloro-5-fluorobenzaldehyde
CAS No:90390-49-1
MF:C7H4ClFO
MW:158.557464599609
MDL:MFCD02261734
CID:91017
PubChem ID:2734839
Update Time:2025-06-07

3-Chloro-5-fluorobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-5-fluorobenzaldehyde
    • 3-Chloro-5-fluorobenzaldehyde (ACI)
    • CS-B0666
    • PS-8803
    • 3-Chloro-5-fluoro-benzaldehyde
    • EN300-141431
    • SCHEMBL224110
    • MFCD02261734
    • J-512266
    • STL555084
    • Benzaldehyde, 3-chloro-5-fluoro-
    • AKOS005257576
    • Z1203161793
    • AC-2300
    • BBL101288
    • AB11796
    • 90390-49-1
    • C3365
    • SY030344
    • DTXSID10370529
    • QWBYWPJNPKGEBO-UHFFFAOYSA-N
    • DB-057200
    • MDL： MFCD02261734
    • Inchi： 1S/C7H4ClFO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
    • InChI Key： QWBYWPJNPKGEBO-UHFFFAOYSA-N
    • SMILES： O=CC1C=C(Cl)C=C(F)C=1

Computed Properties

  • Exact Mass: 157.99300
  • Monoisotopic Mass: 157.993
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 129
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Color/Form: White solid
  • Density: 1.352
  • Melting Point: 40.0 to 44.0 deg-C
  • Boiling Point: 202.9°C at 760 mmHg
  • Flash Point: 76.5 °C
  • Refractive Index: 1.559
  • PSA: 17.07000
  • LogP: 2.29160
  • Sensitiveness: Air Sensitive
  • Solubility: Insoluble in water

3-Chloro-5-fluorobenzaldehyde Security Information

3-Chloro-5-fluorobenzaldehyde Customs Data

  • HS CODE：2913000090
  • Customs Data：

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

3-Chloro-5-fluorobenzaldehyde Pricemore >>

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