2,3,4,5-Tetrafluorobenzoic acid

• CAS: 1201-31-6
• Catalog Number: ACM1201316-2
• Category: Aryl Fluorinated Building Blocks
• Molecular Formula: C7H2F4O2
• Description: 2,3,4,5-Tetrafluorobenzoic Acid is used in the synthesis of diterpenoid analogs as antitumor compounds. Also used in the synthesis of novel quinoline lactones.
• Synonyms: 2,3,4,5-tetrafluoro benzoic acid;F0293-0125;2-H-C6F4COOH;2,3,3′,4′,5,5′,6-HEPTACHLOROBIPHENYL;2,3,4,5-Tetrafluorobenzoic Acid
• Melting Point: 85-88ºC
• Flash Point: 98.5ºC
• Density: 1.633 g/cm³
• Appearance: White to pale yellow powder
• Content: 98.0% Min
• Hazard Codes: Xi
• Hazard Statements: H301
• HS Code: 2916399090
• LogP: 1.94120
• MDL Number: MFCD00009613
• PSA: 37.3
• RIDADR: NONH for all modes of transport
• Symbol: GHS06
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2,3,4,5-Tetrafluorobenzoic acid?

The molecular formula is C7H2F4O2.

What is the molecular weight of 2,3,4,5-Tetrafluorobenzoic acid?

The molecular weight is 194.08 g/mol.

How is the IUPAC name of 2,3,4,5-Tetrafluorobenzoic acid computed?

It is computed as 2,3,4,5-tetrafluorobenzoic acid.

What is the InChI of 2,3,4,5-Tetrafluorobenzoic acid?

The InChI is InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13).

What is the InChIKey of 2,3,4,5-Tetrafluorobenzoic acid?

The InChIKey is SFKRXQKJTIYUAG-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,3,4,5-Tetrafluorobenzoic acid?

The Canonical SMILES is C1=C(C(=C(C(=C1F)F)F)F)C(=O)O.

What is the CAS number of 2,3,4,5-Tetrafluorobenzoic acid?

The CAS number is 1201-31-6.

What is the XLogP3-AA value of 2,3,4,5-Tetrafluorobenzoic acid?

The XLogP3-AA value is 1.8.

How many hydrogen bond acceptor counts does 2,3,4,5-Tetrafluorobenzoic acid have?

It has 6 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.