3-Bromo-2-chloro-6-fluorobenzoic acid CAS 1114809-13-0
| CAS No. | 1114809-13-0 |
| Molecular Formula | C7H3BrClFO2 |
| Molecular Weight | 253.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Bromo-2-chloro-6-fluorobenzoic acid (CAS 1114809-13-0), molecular formula C7H3BrClFO2 and molecular weight 253.45 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-Bromo-2-chloro-6-fluorobenzoic acid (C7H3BrClFO2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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.
Physical & Chemical Properties
| Molecular Formula | C7H3BrClFO2 |
| Molecular Weight | 253.45 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Cl/Br-containing |
Related Bromo Standards
- 2-Bromo-4-chloro-6-fluorobenzoic acid (CAS 1082040-61-6)
- 5-Bromo-2-chloro-4-fluorobenzoic acid (CAS 1204219-98-6)
- 4-bromo-3-chloro-5-fluorobenzoic acid (CAS 1263274-74-3)
- 3-Bromo-5-chloro-2-fluorobenzoic acid (CAS 1269232-93-0)
- 4-Bromo-2-chloro-6-fluorobenzoic acid (CAS 1321613-01-7)
- 4-Bromo-5-chloro-2-fluorobenzoic Acid (CAS 1349708-91-3)
- 3-Bromo-4-chloro-5-fluorobenzoic acid (CAS 1357942-87-0)
- 6-bromo-3-chloro-2-fluorobenzoic acid (CAS 1428234-67-6)
Recommended Standards
- 5-Bromo-4-chloro-4,5,5-trifluoropent-2-en-1-ol (CAS 232602-81-2)
- 5-Bromo-2-chloro-4-nitropyridine 1-oxide (CAS 1379366-01-4)
- 5-Bromo-2-chloro-3-nitropyridin-4-ol (CAS 1334137-23-3)
- 5-Bromo-6-chloro-2-nitropyridin-3-ol (CAS 1131041-71-8)
- 4-Azido-1-methanesulfonate-1-butanol (CAS 320573-75-9)
- pyrrolo[2,3-b]pyridine-1-carboxamide (CAS 1542066-93-2)
- 1-(2-Chloroethyl)-5-methylindoline-2,3-dione (CAS 86106-90-3)
- 3-Cyclopropylcyclobutanamine hydrochloride (CAS 2095409-74-6)
- 1-Bromo-2-(octyloxy)benzene (CAS 528598-05-2)
- 5332-24-1 3-Bromoquinoline Quinoline, 3-bromo- AI3-16560 EINECS 226-237-1 NSC 3995 (CAS 5332-24-1)
- 1,2/1,4/2,2-Dimethyl Adamantane Mixture (CAS CATO-C4X-105827)
- 119750-09-3 2-chloro-2-[(4-methoxy-2-nitrophenyl)hydrazinylidene]acetic acid ethyl ester A804351 ethyl 2-chloranyl-2-[(4-methoxy-2-nitro-phenyl)hydrazinylidene]ethanoate (CAS 119750-09-3)
- GAP 26 (CAS 197250-15-0)
- Semaglutide Impurity 149 (CAS CATO-C4X-2226149)
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