Cas no 1214324-50-1 (Methyl 3,6-difluoro-2-hydroxybenzoate)

Methyl 3,6-difluoro-2-hydroxybenzoate is a fluorinated aromatic ester with a molecular formula of C8H6F2O3. This compound features a hydroxyl group and two fluorine atoms positioned at the 3- and 6-positions on the benzoate ring, enhancing its reactivity and selectivity in synthetic applications. The presence of fluorine atoms improves metabolic stability and lipophilicity, making it valuable in pharmaceutical and agrochemical intermediates. The ester functionality allows for further derivatization, facilitating its use in cross-coupling reactions or as a building block for more complex molecules. Its well-defined structure and purity make it suitable for research and industrial applications requiring precise fluorinated intermediates.
Methyl 3,6-difluoro-2-hydroxybenzoate structure
1214324-50-1 structure
Product Name:Methyl 3,6-difluoro-2-hydroxybenzoate
CAS No:1214324-50-1
MF:C8H6F2O3
MW:188.128249645233
MDL:MFCD10567189
CID:1101981
PubChem ID:46311130
Update Time:2025-06-09

Methyl 3,6-difluoro-2-hydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3,6-difluoro-2-hydroxybenzoate
    • Benzoic acid, 3,6-difluoro-2-hydroxy-, methyl ester
    • MFCD10567189
    • AS-68780
    • Methyl3,6-difluoro-2-hydroxybenzoate
    • DTXSID501285884
    • 1214324-50-1
    • METHYL 2,5-DIFLUORO6-HYDROXYBENZOATE
    • CS-0036124
    • A856896
    • DB-334437
    • AKOS006302686
    • MDL： MFCD10567189
    • Inchi： 1S/C8H6F2O3/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3,11H,1H3
    • InChI Key： ZQDXNCXFLSCPED-UHFFFAOYSA-N
    • SMILES： FC1=CC=C(C(=C1C(=O)OC)O)F

Computed Properties

  • Exact Mass: 188.02850037g/mol
  • Monoisotopic Mass: 188.02850037g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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: 2.2
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.402±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 229.9±40.0 oC (760 Torr),
  • Flash Point: 92.8±27.3 oC,
  • Solubility: Very slightly soluble (0.38 g/l) (25 o C),

Methyl 3,6-difluoro-2-hydroxybenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
PC907140-1g
Methyl 3,6-difluoro-2-hydroxybenzoate
 1214324-50-1 95%
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 ￡445.00 2025-02-22
TRC
M303845-25mg
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 1214324-50-1
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Methyl 3,6-Difluoro-2-hydroxybenzoate
 1214324-50-1
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 $ 80.00 2022-06-04
Alichem
A015008215-5g
Methyl 3,6-difluoro-2-hydroxybenzoate
 1214324-50-1 95%
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Chemenu
CM157408-5g
methyl 3,6-difluoro-2-hydroxybenzoate
 1214324-50-1 95%
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eNovation Chemicals LLC
D768169-250mg
Benzoic acid, 3,6-difluoro-2-hydroxy-, methyl ester
 1214324-50-1 95%
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eNovation Chemicals LLC
D768169-1g
Benzoic acid, 3,6-difluoro-2-hydroxy-, methyl ester
 1214324-50-1 95%
1g
 $220 2024-06-08
1PlusChem
1P00158Q-1g
Benzoic acid, 3,6-difluoro-2-hydroxy-, methyl ester
 1214324-50-1 95+%
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Aaron
AR0015H2-100mg
Benzoic acid, 3,6-difluoro-2-hydroxy-, methyl ester
 1214324-50-1 95%
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