5,6-Difluorobenzo[d]oxazole-2-carboxylic acid CAS 944898-61-7
| CAS No. | 944898-61-7 |
| Molecular Formula | C8H3F2NO3 |
| Molecular Weight | 199.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
5,6-Difluorobenzo[d]oxazole-2-carboxylic acid (CAS 944898-61-7) is a high-purity analytical reference standard with the molecular formula C8H3F2NO3 and a molecular weight of 199.11 g/mol.
The molecular framework of 5,6-Difluorobenzo[d]oxazole-2-carboxylic acid (C8H3F2NO3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C8H3F2NO3 |
| Molecular Weight | 199.11 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluorobenzo Standards
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- 1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-one (CAS 126120-83-0)
- 1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)ethan-1-one (CAS 136593-45-8)
- (5,7-Difluorobenzo[b]thiophen-2-yl)methanol (CAS 1400702-19-3)
- 2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile (CAS 68119-31-3)
- (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)ethan-1-amine (CAS 1079652-99-5)
- (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine (CAS 1213203-92-9)
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Recommended Standards
- 4-Amino-2,3-difluoro-5-nitrobenzonitrile (CAS 917980-12-2)
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- 4-(Methylselanyl)benzaldehyde (CAS 35729-40-9)
- 3,5-Dihydroxy-4-nitrobenzoic acid (CAS 1081544-32-2)
- (Z)-[(4-Chlorophenyl)methoxy]({2-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylethylidene})amine (CAS 250714-02-4)
- (S)-N-(pyrrolidin-3-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide hydrochloride (CAS 1353999-35-5)
- (4-(1,3-Dimethyl-1H-pyrazol-5-yl)thiazol-2-yl)methanol (CAS 1707389-03-4)
- (S)-3-(difluoromethoxy)pyrrolidine (CAS 1638784-52-7)
- 3-(Phenylamino)cyclopentanecarboxylic acid (CAS 1233927-35-9)
- 3-(5-Bromo-2-pyridyl)-3-oxetanol (CAS 1207758-80-2)
- 1-(6-(2-Chlorophenyl)pyridazin-3-yl)piperidin-3-amine (CAS 1338657-88-7)
- 1-(4-Isopropylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid (CAS 1171764-30-9)
- Oxiran-2-ylmethyl 4-methylbenzenesulfonate (CAS 6746-81-2)
- Tirzepatide Impurity 12 (CAS CATO-C4X-324012)
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