3-Bromo-5-((2,2-diethoxyethyl)thio)-2-methylbenzoic acid CAS 2246311-98-6
| CAS No. | 2246311-98-6 |
| Molecular Formula | C14H19BrO4S |
| Molecular Weight | 363.27 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-Bromo-5-((2,2-diethoxyethyl)thio)-2-methylbenzoic acid (CAS 2246311-98-6), molecular formula C14H19BrO4S and molecular weight 363.27 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Bromo-5-((2,2-diethoxyethyl)thio)-2-methylbenzoic acid (C14H19BrO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 363.27 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C14H19BrO4S |
| Molecular Weight | 363.27 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.) | 1998 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
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- 5,7-Dibromo-4-chloroquinazoline (CAS 2021198-15-0)
- 1-(4-Fluorophenyl)-3-propyl-4,5-dihydro-1H-pyrazol-5-one (CAS 118049-03-9)
- 4-valeronitrile (CAS 19596-07-7)
- 3-(3-(Methylthio)phenyl)pentan-3-ol (CAS 1379326-71-2)
- tert-Butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate (CAS 158985-25-2)
- Methyl 2-Chloro-4-formylnicotinate (CAS 1774903-49-9)
- (4-Amino-3-iodophenyl)acetic acid 133178-71-9 3795AD C8H8INO2 (CAS 133178-71-9)
- [D-His1]-Semaglutide (CAS CATO-C4X-2226127)
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