3,4,5-Trifluorobenzoic acid

• CAS: 121602-93-5
• Catalog Number: ACM121602935
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 176.09
• Molecular Formula: C7H3F3O2
• Synonyms: Benzoic acid, 3,4,5-trifluoro-
• IUPAC Name: 3,4,5-trifluorobenzoic acid
• Canonical SMILES: C1=C(C=C(C(=C1F)F)F)C(=O)O
• InChI: InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
• InChI Key: VJMYKESYFHYUEQ-UHFFFAOYSA-N
• Melting Point: 97-99 ºC (lit.)
• Density: 1.12 g/ml
• Hazard Statements: H318
• RIDADR: NONH for all modes of transport
• Symbol: GHS05

Custom Q&A

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

The molecular formula of 3,4,5-Trifluorobenzoic acid is C7H3F3O2.

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

The molecular weight of 3,4,5-Trifluorobenzoic acid is 176.09 g/mol.

What is the IUPAC name of 3,4,5-Trifluorobenzoic acid?

The IUPAC name of 3,4,5-Trifluorobenzoic acid is 3,4,5-trifluorobenzoic acid.

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

The InChI of 3,4,5-Trifluorobenzoic acid is InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12).

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

The InChIKey of 3,4,5-Trifluorobenzoic acid is VJMYKESYFHYUEQ-UHFFFAOYSA-N.

What is the canonical SMILES of 3,4,5-Trifluorobenzoic acid?

The canonical SMILES of 3,4,5-Trifluorobenzoic acid is C1=C(C=C(C(=C1F)F)F)C(=O)O.

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

The CAS number of 3,4,5-Trifluorobenzoic acid is 121602-93-5.

What is the European Community (EC) number of 3,4,5-Trifluorobenzoic acid?

The European Community (EC) number of 3,4,5-Trifluorobenzoic acid is 624-063-4.

What is the DSSTox Substance ID of 3,4,5-Trifluorobenzoic acid?

The DSSTox Substance ID of 3,4,5-Trifluorobenzoic acid is DTXSID50357399.

Is 3,4,5-Trifluorobenzoic acid a canonicalized compound?

Yes, 3,4,5-Trifluorobenzoic acid is a canonicalized compound.