1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclobutanecarboxylic Acid CAS 1314666-16-4
| CAS No. | 1314666-16-4 |
| Molecular Formula | C12H10F2O4 |
| Molecular Weight | 256.20 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 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclobutanecarboxylic Acid.
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclobutanecarboxylic Acid (CAS 1314666-16-4), molecular formula C12H10F2O4 and molecular weight 256.20 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclobutanecarboxylic Acid (C12H10F2O4) 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 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 256.20 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.
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.
As a certified reference material (CRM), 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclobutanecarboxylic Acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H10F2O4 |
| Molecular Weight | 256.20 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-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 chloroform, dichloromethane, ethyl acetate, 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.) | 1990 |
| Halogen Content | F-containing |
Related Difluoro Standards
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- 5,8-Difluoro-2-phenylquinolin-4-amine (CAS 1189106-37-3)
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Recommended Standards
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- methyl 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanoate (CAS 114106-84-2)
- tert-butyl N-[6-(hydroxyamino)spiro[2.5]octan-2-yl]carbamate (CAS 2300183-91-7)
- (6-Fluoroimidazo[1,2-a]pyridin-3-yl)methanamine (CAS 1020033-25-3)
- 2-(2-(1H-Benzo[d]imidazol-2-yl)ethyl)-N-(o-tolyl)hydrazinecarbothioamide (CAS 78772-41-5)
- SU11652 (CAS 326914-10-7)
- Ethyl (E)-2-(2-(2-bromophenyl)hydrazono)propanoate (CAS 18474-55-0)
- 5-Aminovaleric Acid (CAS 660-88-8)
- 1-Methylisoquinoline-3-carboxamide (CAS 1823943-50-5)
- 4-Bromo-3-fluorophenyl cyclopropyl ketone (CAS 898790-03-9)
- Semaglutide impurity 88 (CAS CATO-C4X-222688)
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