Cas no 878207-28-4 (Methyl 2-bromo-4,5-difluorobenzoate)

Methyl 2-bromo-4,5-difluorobenzoate structure
878207-28-4 structure
Product Name:Methyl 2-bromo-4,5-difluorobenzoate
CAS No:878207-28-4
MF:C8H5BrF2O2
MW:251.024908781052
MDL:MFCD08458104
CID:821562
PubChem ID:26985845
Update Time:2024-10-26

Methyl 2-bromo-4,5-difluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • METHYL 2-BROMO-4,5-DIFLUOROBENZOATE
    • 2-Bromo-4,5-difluorobenzoic acid methyl ester
    • Methyl2-Bromo-4,5-Difluorobenzoate
    • Benzoic acid, 2-bromo-4,5-difluoro-, methyl ester
    • KSC496E9J
    • ZCGAVEFBZYWYJW-UHFFFAOYSA-N
    • WT156
    • CL8525
    • WT2195
    • SBB100861
    • CM12476
    • ST2407144
    • W9020
    • 2-bromo-4,5-di
    • MFCD08458104
    • CS-0139196
    • SCHEMBL709908
    • 878207-28-4
    • 2-Bromo-4,5-difluoro-benzoic acid, methyl ester
    • DTXSID10650474
    • Methyl 2-bromo-4,5-difluoro-benzoate
    • SY023126
    • AS-46042
    • 2-bromo-4,5-difluoro-benzoic acid methyl ester
    • DB-077115
    • AKOS015995347
    • Methyl 2-bromo-4,5-difluorobenzoate
    • MDL： MFCD08458104
    • Inchi： 1S/C8H5BrF2O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,1H3
    • InChI Key： ZCGAVEFBZYWYJW-UHFFFAOYSA-N
    • SMILES： O=C(C1C(Br)=CC(F)=C(F)C=1)OC

Computed Properties

  • Exact Mass: 249.94400
  • Monoisotopic Mass: 249.944
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 201
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.652
  • Boiling Point: 249.5±40.0℃ at 760 mmHg
  • Flash Point: 104.7°C
  • Refractive Index: 1.513
  • PSA: 26.30000
  • LogP: 2.51390

Methyl 2-bromo-4,5-difluorobenzoate 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 2-bromo-4,5-difluorobenzoate Pricemore >>

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Methyl 2-bromo-4,5-difluorobenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Acetyl chloride Solvents: Methanol ;  4 - 16 h, 65 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
Reference
Synthesis and antimicrobial evaluation of amixicile-based inhibitors of the pyruvate-ferredoxin oxidoreductases of anaerobic bacteria and Epsilonproteobacteria
Kennedy, Andrew J.; Bruce, Alexandra M.; Gineste, Catherine; Ballard, T. Eric; Olekhnovich, Igor N.; et al, Antimicrobial Agents and Chemotherapy, 2016, 60(7), 3980-3987

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ;  4 h, reflux
Reference
Synthesis and biological evaluation of new fluorine substituted derivatives as angiotensin II receptor antagonists with anti-hypertension and anti-tumor effects
Da, Ya-jing; Yuan, Wei-dong; Xin, Ting; Nie, Yong-yan; Ye, Ying; et al, Bioorganic & Medicinal Chemistry, 2012, 20(24), 7101-7111

Methyl 2-bromo-4,5-difluorobenzoate Raw materials

Methyl 2-bromo-4,5-difluorobenzoate Preparation Products

Methyl 2-bromo-4,5-difluorobenzoate Related Literature

878207-28-4 (Methyl 2-bromo-4,5-difluorobenzoate) Related Products

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