3,4-Dichloro-5-fluorocinnamic acid CAS 1807414-01-2
| CAS No. | 1807414-01-2 |
| Molecular Formula | C9H5Cl2FO2 |
| Molecular Weight | 235.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3,4-Dichloro-5-fluorocinnamic acid (CAS 1807414-01-2) is a high-purity analytical reference standard with the molecular formula C9H5Cl2FO2 and a molecular weight of 235.04 g/mol.
Based on its molecular formula C9H5Cl2FO2, 3,4-Dichloro-5-fluorocinnamic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 235.04 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C9H5Cl2FO2 |
| Molecular Weight | 235.04 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 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Cl-containing |
Related Dichloro Standards
- 3-(2,4-Dichloro-5-fluorophenyl)-3-oxopropanal (CAS 1179276-80-2)
- 2,6-Dichloro-4-fluorocinnamic acid (CAS 1807314-16-4)
- 2,5-Dichloro-4-fluorocinnamic acid (CAS 1807340-97-1)
- 3,4-Dichloro-2-fluorocinnamic acid (CAS 1807392-94-4)
- (E)-3-(3,6-Dichloro-2-fluorophenyl)acrylic acid (CAS 1807393-04-9)
- 2,5-Dichloro-3-fluorocinnamic acid (CAS 1807394-66-6)
- 3,5-Dichloro-2-fluorocinnamic acid (CAS 1807394-71-3)
- 2,3-Dichloro-5-fluorocinnamic acid (CAS 1807413-44-0)
Recommended Standards
- 2,4-Dichloro-3-fluorocinnamic acid (CAS 1807413-85-9)
- 3,5-Dichloro-4-fluorocinnamic acid (CAS 1807432-86-5)
- 4,5-Dichloro-2-fluorocinnamic acid (CAS 1807413-64-4)
- 2,6-Dichloro-3-fluorocinnamic acid (CAS 1807439-77-5)
- 2-Ethyl-6,7-difluorobenzofuran-3(2h)-one (CAS 1342131-00-3)
- 2-(2,4-Dichlorophenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazol-3(2H)-one (CAS 1000571-77-6)
- (r)-5-(1-Amino-2-hydroxyethyl)-2-methylphenol (CAS 1212915-29-1)
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