3,4-Difluorobenzoic acid

• CAS: 455-86-7
• Catalog Number: ACM455867
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 158.1
• Molecular Formula: C7H4F2O2
• Synonyms: Benzoic acid, 3,4-difluoro-
• IUPAC Name: 3,4-difluorobenzoic acid
• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)F)F
• InChI: InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
• InChI Key: FPENCTDAQQQKNY-UHFFFAOYSA-N
• Boiling Point: 257.0±20.0 ºC
• Melting Point: 120-122 ºC (lit.)
• Density: 1.348 g/ml
• Hazard Statements: H226-H315-H319-H335
• RIDADR: NONH for all modes of transport
• Symbol: GHS02

Custom Q&A

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

The molecular formula of 3,4-Difluorobenzoic acid is C7H4F2O2.

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

The molecular weight of 3,4-Difluorobenzoic acid is 158.10 g/mol.

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

The IUPAC name of 3,4-Difluorobenzoic acid is 3,4-difluorobenzoic acid.

What is the InChI of 3,4-Difluorobenzoic acid?

The InChI of 3,4-Difluorobenzoic acid is InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11).

What is the InChIKey of 3,4-Difluorobenzoic acid?

The InChIKey of 3,4-Difluorobenzoic acid is FPENCTDAQQQKNY-UHFFFAOYSA-N.

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

The canonical SMILES of 3,4-Difluorobenzoic acid is C1=CC(=C(C=C1C(=O)O)F)F.

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

The CAS number of 3,4-Difluorobenzoic acid is 455-86-7.

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

The European Community (EC) number of 3,4-Difluorobenzoic acid is 207-249-6.

What is the UNII of 3,4-Difluorobenzoic acid?

The UNII of 3,4-Difluorobenzoic acid is J5J3RFV8N6.