3-Methoxy-2,4,6-trifluorobenzoic acid | CAS No. 886499-94-1

3-Methoxy-2,4,6-trifluorobenzoic acid

Basic Information

CAS Number

886499-94-1

Molecular Formula

C8H5F3O3

Molecular Weight

206.12 g/mol

AD

Basic Physical Properties

Melting Point

100-102℃

COC1=C(C=C(C(=C1F)C(=O)O)F)F

InChI

InChI=1S/C8H5F3O3/c1-14-7-4(10)2-3(9)5(6(7)11)8(12)13/h2H,1H3,(H,12,13)

InChIKey

HBJGDRQQDGUBGN-UHFFFAOYSA-N

LogP

1.8107000000000002

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

224

Synonyms & References

English

  • 3-Methoxy-2,4,6-trifluorobenzoic acid
  • 2,4,6-Trifluoro-3-methoxybenzoic acid
  • JRD-1796
  • 2,4,6-Trifluoro-3-methoxybenzoic acid (ACI)
  • 2,4,6-Trifluoro-3-methoxybenzenecarboxylic acid
  • CS-0358960
  • 886499-94-1
  • E88047
  • AC-26277
  • MFCD06660225
  • DTXSID20590695
  • 3-Methoxy-2,4,6-trifluorobenzoicacid
  • SCHEMBL203637
  • 2,4,6-trifluoro-3-methoxybenzoic acid
  • AKOS015956550
  • JS-4427

MDL Number

MFCD06660225

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 3-Methoxy-2,4,6-trifluorobenzoic acid (CAS: 886499-94-1)?

3-Methoxy-2,4,6-trifluorobenzoic acid is a white crystalline solid with a molecular weight of approximately 230.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like acetone and dichloromethane. Chemically, it is relatively stable but can undergo typical carboxylic acid reactions. It exhibits high reactivity towards nucleophiles and is prone to condensation reactions.

How is 3-Methoxy-2,4,6-trifluorobenzoic acid (CAS: 886499-94-1) typically synthesized?

3-Methoxy-2,4,6-trifluorobenzoic acid is typically synthesized via the Friedel-Crafts alkylation of 2,4,6-trifluorobenzoic anhydride with methanol. This process requires strong Lewis acids like aluminum chloride as a catalyst. The reaction is carried out at low temperatures to achieve a good yield. The product is isolated by recrystallization from solvents like dichloromethane.

What industries use 3-Methoxy-2,4,6-trifluorobenzoic acid (CAS: 886499-94-1)?

3-Methoxy-2,4,6-trifluorobenzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry for functionalization and modification of polymer chains. Additionally, it finds applications in the electronics industry for its use in the development of semiconductors and sensors due to its unique chemical properties.

What precautions should be taken when handling 3-Methoxy-2,4,6-trifluorobenzoic acid (CAS: 886499-94-1)?

When handling 3-Methoxy-2,4,6-trifluorobenzoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, well-ventilated area away from heat and sources of ignition. If a spill occurs, it should be contained and cleaned up using appropriate chemical spill cleanup procedures. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.

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