(e)-2-Cyano-3-(4-(difluoromethoxy)-3-methoxyphenyl)acrylic acid CAS 885456-85-9
| CAS No. | 885456-85-9 |
| Molecular Formula | C12H9F2NO4 |
| Molecular Weight | 269.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), (e)-2-Cyano-3-(4-(difluoromethoxy)-3-methoxyphenyl)acrylic 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.
(e)-2-Cyano-3-(4-(difluoromethoxy)-3-methoxyphenyl)acrylic acid (CAS 885456-85-9), molecular formula C12H9F2NO4 and molecular weight 269.20 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H9F2NO4, (e)-2-Cyano-3-(4-(difluoromethoxy)-3-methoxyphenyl)acrylic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 269.20 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H9F2NO4 |
| Molecular Weight | 269.20 g/mol |
| Appearance | Pale yellow to 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related e Standards
- Ethyl 2-cyano-3-(3-(trifluoromethyl)phenyl)acrylate (CAS 149550-20-9)
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- 5-Cyano-2-(4-fluorobenzoyl)benzoic Acid (CAS 411221-51-7)
- 2-Cyano-3-(5-(4-methoxyphenyl)furan-2-yl)acrylic acid (CAS 853344-58-8)
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Recommended Standards
- 4-(difluoromethyl)-2-(4-methoxyphenyl)-1,3-oxazole-5-carboxylic acid (CAS 1803584-52-2)
- 1-(Methylsulfonyl)-2-nitro-4-(trifluoromethyl)benzene (CAS 364-48-7)
- 3-Bromo-5-(tert-butyl)benzo[b]thiophene (CAS 1780644-81-6)
- 1-(Methylsulfonyl)-4-nitro-2-(trifluoromethyl)benzene (CAS 252561-91-4)
- 5-Chloronicotinimidamide (CAS 1253792-00-5)
- 2-((1-(4-Bromophenyl)propyl)amino)propan-1-ol (CAS 1153890-27-7)
- (S)-2-Amino-N-(2-bromobenzyl)-N-isopropyl-3-methylbutanamide (CAS 1354016-49-1)
- Tricyclodecenyl acetate (CAS 54830-99-8)
- N-(Hex-5-yn-1-yl)prop-2-enamide (CAS 748800-89-7)
- 2-Amino-3-hydroxybenzonitrile (CAS 211172-52-0)
- Benzhexol Impurity 6 (CAS CATO-C4X-18576)
- 2-(Isopropylamino)pyrimidine-5-carboxylic acid (CAS 148741-64-4)
- (R)-5-(Trifluoromethyl)-2,3-dihydrobenzofuran-3-amine (CAS 1272731-64-2)
- Des-[Oct-γ-Glu-AEEA-AEEA]-Semaglutide (CAS CATO-C4X-2226112)
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