5-Bromo-2-((2-(dimethylcarbamoyl)phenyl)thio)benzoic acid CAS 222021-56-9
| CAS No. | 222021-56-9 |
| Molecular Formula | C16H14BrNO3S |
| Molecular Weight | 380.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Bromo-2-((2-(dimethylcarbamoyl)phenyl)thio)benzoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-Bromo-2-((2-(dimethylcarbamoyl)phenyl)thio)benzoic acid (CAS 222021-56-9), molecular formula C16H14BrNO3S and molecular weight 380.26 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-Bromo-2-((2-(dimethylcarbamoyl)phenyl)thio)benzoic acid (C16H14BrNO3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), 5-Bromo-2-((2-(dimethylcarbamoyl)phenyl)thio)benzoic 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 | C16H14BrNO3S |
| Molecular Weight | 380.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2020 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]acetic acid (CAS 886762-32-9)
- 6-(3-Chloropropoxy)-2-(4-(3-chloropropoxy)phenyl)benzo[d]oxazole (CAS 1219925-75-3)
- 2-(2-(4-Bromophenoxy)acetyl)-N-phenylhydrazine-1-carbothioamide (CAS 406190-67-8)
- (6-Chloropyridin-3-yl)methyl 1-((6-chloropyridin-3-yl)methyl)piperidine-2-carboxylate (CAS 1261229-58-6)
- Methyl 2-(4-chlorobenzoyloxy)-5-iodobenzoate (CAS 297150-26-6)
- 1-Methyl-3-(4-piperidyl)imidazolidin-2-one (CAS 52211-04-8)
- N-(4-Amino-2-methylphenyl)-2-(2,5-dimethylphenoxy)acetamide (CAS 953740-51-7)
- (E)-N-Benzylidene-4-fluoroaniline (CAS 83306-62-1)
- 3-Bromo-5-(methylsulfonyl)-4H-1,2,4-triazole hydrochloride (CAS 2361643-87-8)
- 3-((4-Methyl-1,4-diazepan-1-yl)methyl)aniline (CAS 915707-49-2)
- 6-Bromo-N-methyl-2-naphthamide (CAS 426219-35-4)
- (S)-1-amino-6-chloro-2,3-dihydro-1H-indene-4-carboxylic acid (CAS 1213924-24-3)
- 4-Imino-1,3-diazaspiro[4.4]nonan-2-one (CAS 79662-82-1)
- Tau Peptide (306-317) trifluoroacetate salt (CAS 1003007-59-7)
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