2,6-Difluorobenzoic Acid CAS 385-00-2
| CAS No. | 385-00-2 |
| Molecular Formula | C7H4F2O2 |
| Molecular Weight | 158.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2,6-Difluorobenzoic Acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2,6-Difluorobenzoic Acid (CAS 385-00-2) is a high-purity analytical reference standard with the molecular formula C7H4F2O2 and a molecular weight of 158.10 g/mol.
Based on its molecular formula C7H4F2O2, 2,6-Difluorobenzoic Acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 158.10 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
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 | >95% |
| 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)
- 3,4-Difluorobenzoic acid (CAS 455-86-7)
- 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
- Methyl Paraben-13C6 (CAS 1581694-95-2)
- Vanillin-13C6 (CAS 201595-58-6)
- Maleuric acid (CAS 105-61-3)
- 3,6-Difluoro-2-hydroxybenzaldehyde (CAS 502762-92-7)
- tert-Butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate (CAS 1497778-22-9)
- (1-(2-Fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)methanamine (CAS 1267357-55-0)
- 7-Methylbicyclo[4.2.0]Octa-1,3,5-triene-7-carboxylic acid (CAS 33223-77-7)
- Acetyl-(Cys3,Nle4,Arg5,D-2-Nal7,Cys11)-α-MSH (3-11) amide (CAS 212370-59-7)
- 3-((3-Chloropyridin-4-yl)methyl)pyrrolidin-3-ol (CAS 1479230-02-8)
- N-(4-ethoxy-3-methoxybenzyl)prop-2-en-1-amine oxalate (CAS 1431964-70-3)
- (S)-1-(2-(hydroxymethyl)azetidin-1-yl)ethan-1-one (CAS 2165966-26-5)
- 8-Azabicyclo[3.2.1]octane-3-carbonitrile (CAS 1368363-90-9)
- 5-chloro-2-methoxy-3-(methylcarbamoyl)benzene-1-sulfonyl chloride (CAS 1481595-14-5)
- Semaglutide impurity 104(Fmoc-D-His-Aib) (CAS 2171211-18-8)
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