2-(Difluoromethyl)-1h-1,3-benzodiazole-5-carboxylic acid CAS 1097804-95-9
| CAS No. | 1097804-95-9 |
| Molecular Formula | C9H6F2N2O2 |
| Molecular Weight | 212.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(Difluoromethyl)-1h-1,3-benzodiazole-5-carboxylic acid.
CATO supplies 2-(Difluoromethyl)-1h-1,3-benzodiazole-5-carboxylic acid (CAS 1097804-95-9), a certified reference material (molecular formula C9H6F2N2O2, MW 212.15 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 2-(Difluoromethyl)-1h-1,3-benzodiazole-5-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 212.15 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C9H6F2N2O2 |
| Molecular Weight | 212.15 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 DMSO, DMF, methanol |
| 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.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Difluoromethyl Standards
- 1-(difluoromethyl)-5-nitro-1H-indole (CAS 1770141-59-7)
- 1-(difluoromethyl)-4-nitro-1H-indole (CAS 1774830-17-9)
- 1-(difluoromethyl)-7-nitro-1H-indole (CAS 1778511-20-8)
- 3-(Difluoromethyl)-6-formyl-5-methoxypicolinonitrile (CAS 1804376-79-1)
- 3-(Difluoromethyl)-2-formyl-6-methoxyisonicotinonitrile (CAS 1804730-24-2)
- 2-(Difluoromethyl)-6-formyl-3-methoxyisonicotinonitrile (CAS 1805390-44-6)
- 2-(Difluoromethyl)-5-formyl-3-methoxyisonicotinonitrile (CAS 1805926-34-4)
- 3-(Difluoromethyl)-5-formyl-2-methoxyisonicotinonitrile (CAS 1805926-37-7)
Recommended Standards
- 2-Amino-5-(trifluoromethyl)thiazole-4-carboxylic acid (CAS 1086380-23-5)
- 2-[4-(trifluoromethyl)-1,2,3-thiadiazol-5-yl]acetic acid (CAS 1099475-73-6)
- 5,7-Difluoro-3-methyl-1-benzofuran-2-carboxylic acid (CAS 1019111-84-2)
- 2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]acetic acid (CAS 1211520-85-2)
- 8-(4-Methoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CAS 56327-04-9)
- 1-(2,5-Difluorophenyl)ethane-1-sulfonyl chloride (CAS 1249028-29-2)
- Piperidine, 4-(5-methyl-1H-imidazol-1-yl)- (CAS 1269429-32-4)
- Ethyl tetrahydro-2H-pyran-2-carboxylate (CAS 110811-34-2)
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