3,4-Difluorobenzoic acid CAS 455-86-7
| CAS No. | 455-86-7 |
| Molecular Formula | C7H4F2O2 |
| Molecular Weight | 158.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3,4-Difluorobenzoic acid (CAS 455-86-7) is a high-purity analytical reference standard with the molecular formula C7H4F2O2 and a molecular weight of 158.10 g/mol.
Structurally, 3,4-Difluorobenzoic acid (C7H4F2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 158.10 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO manufactures 3,4-Difluorobenzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C7H4F2O2 |
| Molecular Weight | 158.10 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
Related Difluorobenzoic Standards
- 2,5-Difluorobenzoic acid (CAS 2991-28-8)
- 3,5-Difluorobenzoic acid (CAS 455-40-3)
- 2,6-Difluorobenzoic Acid (CAS 385-00-2)
- 2,5-Difluorobenzoic-d3 Acid (CAS 1219798-63-6)
- 3,4-Difluorobenzoic-d3 Acid (CAS 1219798-70-5)
- 2,6-Difluorobenzoic-d3 Acid (CAS 1219804-21-3)
- 2,4-Difluorobenzoic-d3 Acid (CAS 1219804-63-3)
- 3,5-Difluorobenzoic-d3 Acid (CAS 934397-71-4)
Recommended Standards
- Vanillin-13C6 (CAS 201595-58-6)
- 3,6-Difluoro-2-hydroxybenzaldehyde (CAS 502762-92-7)
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- 3,5-Difluorosalicylaldehyde (CAS 63954-77-8)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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