Cas no 916792-23-9 (4-bromo-2-fluoro-5-methyl-benzaldehyde)

4-bromo-2-fluoro-5-methyl-benzaldehyde structure
916792-23-9 structure
Product Name:4-bromo-2-fluoro-5-methyl-benzaldehyde
CAS No:916792-23-9
MF:C8H6BrFO
MW:217.035045146942
MDL:MFCD07782048
CID:803172
Update Time:2025-09-19

4-bromo-2-fluoro-5-methyl-benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-fluoro-5-methylbenzaldehyde
    • Benzaldehyde,4-bromo-2-fluoro-5-methyl-
    • 4-Bromo-2-fluoro-5-methyl-benzaldehyde
    • Benzaldehyde, 4-bromo-2-fluoro-5-methyl-
    • PubChem1426
    • RKISJSZBSQUZSJ-UHFFFAOYSA-N
    • AS01432
    • LS10510
    • CM11849
    • FCH1385910
    • AM62142
    • BC002161
    • AX8010927
    • AB0007739
    • ST24028939
    • W9505
    • A21242
    • 4-Bromo-2
    • 4-Bromo-2-fluoro-5-methylbenzaldehyde (ACI)
    • 4-bromo-2-fluoro-5-methyl-benzaldehyde
    • MDL: MFCD07782048
    • Inchi: 1S/C8H6BrFO/c1-5-2-6(4-11)8(10)3-7(5)9/h2-4H,1H3
    • InChI Key: RKISJSZBSQUZSJ-UHFFFAOYSA-N
    • SMILES: O=CC1C(F)=CC(Br)=C(C)C=1

Computed Properties

  • Exact Mass: 215.95900
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 151
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • PSA: 17.07000
  • LogP: 2.70910

4-bromo-2-fluoro-5-methyl-benzaldehyde 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%

4-bromo-2-fluoro-5-methyl-benzaldehyde Pricemore >>

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4-bromo-2-fluoro-5-methyl-benzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Pyridinium, 1-fluoro-2,4,6-trimethyl-, 1,1,1-trifluoromethanesulfonate (1:1) Catalysts: Aniline-2,4-disulfonic acid ,  Palladium diacetate Solvents: 1,2-Dichloroethane ;  10 h, rt; 24 h, 110 °C
Reference
Pd-Catalyzed, ortho C-H Methylation and Fluorination of Benzaldehydes Using Orthanilic Acids as Transient Directing Groups
Chen, Xiao-Yang ; et al, Journal of the American Chemical Society, 2018, 140(8), 2789-2792

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  10 min, -78 °C; 30 min, -78 °C
1.2 Solvents: Tetrahydrofuran ;  5 min, -78 °C; -78 °C → rt; 2 h, rt
1.3 Reagents: Sodium chloride ;  rt
Reference
Rational Design of a Red Fluorescent Sensor for ALDH1A1 Displaying Enhanced Cellular Uptake and Reactivity
Bearrood, Thomas E. ; et al, Bioconjugate Chemistry, 2020, 31(2), 224-228

4-bromo-2-fluoro-5-methyl-benzaldehyde Raw materials

4-bromo-2-fluoro-5-methyl-benzaldehyde Preparation Products

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