3-(6-Chloro-2H-1-benzopyran-3-yl)-2-propenoic acid CAS 874787-49-2
| CAS No. | 874787-49-2 |
| Molecular Formula | C12H9ClO3 |
| Molecular Weight | 236.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, 3-(6-Chloro-2H-1-benzopyran-3-yl)-2-propenoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 236.65 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.
3-(6-Chloro-2H-1-benzopyran-3-yl)-2-propenoic acid (CAS 874787-49-2), molecular formula C12H9ClO3 and molecular weight 236.65 g/mol, is a CATO reference standard with documented purity and traceability.
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), 3-(6-Chloro-2H-1-benzopyran-3-yl)-2-propenoic 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 | C12H9ClO3 |
| Molecular Weight | 236.65 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
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Recommended Standards
- 3-(4-Chlorophenyl)-6-methylpyrimidine-2,4(1H,3H)-dione (CAS 71814-49-8)
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- 3-(3-Chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 93618-32-7)
- 3-[(4-chloro-1h-pyrazol-1-yl)methyl]benzoic acid (CAS 676348-40-6)
- 4-(3-Fluorophenoxy)benzoic acid (CAS 1021000-12-3)
- 2-Benzyloctahydro-4H-isoindol-4-one oxime (CAS 1424943-63-4)
- 2-(3,5-Dibromo-4-((2-ethylquinolin-6-yl)oxy)phenoxy)acetic acid (CAS 918946-57-3)
- (R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-chloropyridin-2-yl)propanoic acid (CAS 2350747-03-2)
- 5-Bromo-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid (CAS 1956307-68-8)
- N,1-dimethylpiperazine-2-carboxamide dihydrochloride (CAS 1361111-35-4)
- methyl (1R,3S)-1-(1-(tert-butoxycarbonyl)-5-chloro-1H-indol-3-yl)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS 1395347-28-0)
- 2-(4-(Prop-2-yn-1-yl)piperazin-1-yl)pyrimidine (CAS 922723-25-9)
- N-(5-Cycloheptyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide (CAS 82559-87-3)
- Autoinducing Peptide I trifluoroacetate salt (CAS 200010-29-3)
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