Cas no 849758-12-9 (Methyl 4-bromo-3-fluorobenzoate)

Methyl 4-bromo-3-fluorobenzoate is a fluorinated and brominated aromatic ester with the molecular formula C?H?BrFO?. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both bromo and fluoro substituents enhances its reactivity, enabling selective cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig amination. Its ester group further facilitates derivatization into carboxylic acids or amides. The compound exhibits high purity and stability under standard conditions, making it suitable for precise synthetic workflows. Its well-defined structure and functional group compatibility make it valuable for constructing complex molecules in medicinal chemistry and materials science.
Methyl 4-bromo-3-fluorobenzoate structure
849758-12-9 structure
Product Name:Methyl 4-bromo-3-fluorobenzoate
CAS No:849758-12-9
MF:C8H6BrFO2
MW:233.034445285797
MDL:MFCD08436044
CID:720467
PubChem ID:21951878
Update Time:2025-10-29

Methyl 4-bromo-3-fluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-bromo-3-fluorobenzoate
    • Benzoicacid, 4-bromo-3-fluoro-, methyl ester
    • METHYL 4-BROMO-3-FLUOROBENZOATE 98
    • 4-Bromo-3-fluorobenzoic Acid Methyl Ester
    • Benzoic acid, 4-bromo-3-fluoro-, methyl ester
    • 4-bromo-3-fluoro-benzoic acid methyl ester
    • methyl 4-bromo-3-fluoro-benzoate
    • WDAFDKXHLVMFKA-UHFFFAOYSA-N
    • RW1171
    • CL8562
    • SBB098026
    • AS02424
    • VZ36315
    • METHYL 3-FLUORO-4-BROMOBENZOATE
    • MDL: MFCD08436044
    • Inchi: 1S/C8H6BrFO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
    • InChI Key: WDAFDKXHLVMFKA-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(F)C(Br)=CC=1)OC

Computed Properties

  • Exact Mass: 231.95400
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Melting Point: 61.0 to 65.0 deg-C
  • Boiling Point: 270.1℃ at 760 mmHg
  • PSA: 26.30000
  • LogP: 2.37480

Methyl 4-bromo-3-fluorobenzoate Security Information

Methyl 4-bromo-3-fluorobenzoate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Methyl 4-bromo-3-fluorobenzoate Pricemore >>

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Methyl 4-bromo-3-fluorobenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Methanol ;  3 h, 50 °C
Reference
Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria
Skepper, Colin K. ; Armstrong, Duncan; Balibar, Carl J.; Bauer, Daniel; Bellamacina, Cornelia; et al, Journal of Medicinal Chemistry, 2020, 63(14), 7773-7816

Production Method 2

Reaction Conditions
1.1 Solvents: Methanol ,  Tetrahydrofuran ;  1 h, 0 °C → rt
Reference
Design, Synthesis, and Structure-Activity Relationship of a Novel Series of GluN2C-Selective Potentiators
Zimmerman, Sommer S.; Khatri, Alpa; Garnier-Amblard, Ethel C.; Mullasseril, Praseeda; Kurtkaya, Natalie L.; et al, Journal of Medicinal Chemistry, 2014, 57(6), 2334-2356

Production Method 3

Reaction Conditions
1.1 Reagents: Thionyl chloride ;  0 °C; 18 h, rt
Reference
Imaging of I2-imidazoline receptors by small-animal PET using 2-(3-fluoro-[4-11C]tolyl)-4,5-dihydro-1H-imidazole ([11C]FTIMD)
Kawamura, Kazunori; Naganawa, Mika; Konno, Fujiko; Yui, Joji; Wakizaka, Hidekatsu; et al, Nuclear Medicine and Biology, 2010, 37(5), 625-635

Methyl 4-bromo-3-fluorobenzoate Raw materials

Methyl 4-bromo-3-fluorobenzoate Preparation Products

Methyl 4-bromo-3-fluorobenzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:849758-12-9)Methyl 4-bromo-3-fluorobenzoate
Order Number:A841030
Stock Status:in Stock
Quantity:100g/500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:51
Price ($):171.0/598.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:849758-12-9)Methyl 4-bromo-3-fluorobenzoate
A841030
Purity:99%/99%
Quantity:100g/500g
Price ($):171.0/598.0
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