3-Bromo-4-fluorocinnamic acid CAS 160434-49-1
| CAS No. | 160434-49-1 |
| Molecular Formula | C9H6BrFO2 |
| Molecular Weight | 245.05 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.
CATO supplies 3-Bromo-4-fluorocinnamic acid (CAS 160434-49-1), a certified reference material (molecular formula C9H6BrFO2, MW 245.05 g/mol) for analytical method development and quality control.
Structurally, 3-Bromo-4-fluorocinnamic acid (C9H6BrFO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 245.05 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
Physical & Chemical Properties
| Molecular Formula | C9H6BrFO2 |
| Molecular Weight | 245.05 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.) | 2002 |
| Halogen Content | F/Br-containing |
Related Bromo Standards
- 8-Bromo-5-fluorochroman-4-one (CAS 1092348-60-1)
- 6-Bromo-8-fluorochroman-4-one (CAS 1092348-68-9)
- 6-Bromo-7-fluorochroman-4-one (CAS 1092350-30-5)
- 7-Bromo-5-fluorochroman-4-one (CAS 1092350-58-7)
- 7-Bromo-8-fluorochroman-4-one (CAS 1092350-77-0)
- 8-Bromo-6-fluorochroman-4-one (CAS 1092350-87-2)
- 3-Bromo-2-fluorocinnamic acid (CAS 1214791-57-7)
- 5-Bromo-7-fluoro-2-methylbenzofuran-3(2H)-one (CAS 1248174-02-8)
Recommended Standards
- 4-Bromo-2-fluorocinnamic acid (CAS 149947-19-3)
- 6-Bromo-7-fluoro-3,4-dihydroquinoxalin-2(1H)-one (CAS 167415-29-4)
- (5-Bromo-7-fluorobenzofuran-2-yl)methanol (CAS 1498609-31-6)
- 7-Bromo-6-fluoro-3,4-dihydroquinoxalin-2(1H)-one (CAS 170098-97-2)
- Fmoc-Phe(3-CONH2)-OH (CAS 959573-22-9)
- 2-[4-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide (CAS 953750-51-1)
- tert-Butyldimethyl2-nitrophenoxysilane (CAS 158813-51-5)
- AMCA-X, SE, 90% (CAS 216309-02-3)
- 4-Ethoxy-N-(4-fluorobenzyl)aniline (CAS 356531-50-5)
- 1-Fluoro-2-methyl-3-(trifluoromethoxy)benzene (CAS 1404195-13-6)
- 1H-Pyrazole-3,4-dicarbaldehyde (CAS 33090-48-1)
- Ethyl 4-chlorobenzo[b]thiophene-2-carboxylate (CAS 1207537-67-4)
- 4-(4-Chlorobenzenesulfonyl)-6-(4-methylphenoxy)-2-phenylpyrimidine (CAS 339105-61-2)
- Insulin Degludec Impurity 8 (CAS CATO-C4X-21578)
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