7-Bromo-benzo[d]isothiazole-3-carboxylic acid methyl ester CAS 1620412-37-4
| CAS No. | 1620412-37-4 |
| Molecular Formula | C9H6BrNO2S |
| Molecular Weight | 272.12 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 7-Bromo-benzo[d]isothiazole-3-carboxylic acid methyl ester (CAS 1620412-37-4), a certified reference material (molecular formula C9H6BrNO2S, MW 272.12 g/mol) for analytical method development and quality control.
7-Bromo-benzo[d]isothiazole-3-carboxylic acid methyl ester (C9H6BrNO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C9H6BrNO2S |
| Molecular Weight | 272.12 g/mol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Bromo Standards
- 7-Bromo-benzothiazole-2-carboxylic acid methyl ester (CAS 1187928-61-5)
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Recommended Standards
- Methyl 2-bromobenzo[d]thiazole-4-carboxylate (CAS 1440526-53-3)
- 3-amino-7-bromo-1-benzothiophene-2-carboxylic acid (CAS 1780193-19-2)
- (4'-Butyl-3-fluoro-[1,1'-biphenyl]-4-yl)boronic acid (CAS 1400809-84-8)
- 3-Amino-6-bromo-1-benzothiophene-2-carboxylic acid (CAS 1781783-46-7)
- 1-Methyl-3-(1-methyl-1H-1,3-benzodiazol-2-yl)-1,2-dihydropyridin-2-one (CAS 1795084-54-6)
- (R)-2-(2,5-Dimethoxyphenyl)pyrrolidine (CAS 1213082-45-1)
- N1,3-Dimethylbutane-1,3-diamine (CAS 1342027-43-3)
- 4-Ethylpiperazine-1-sulfonyl chloride hydrochloride (CAS 358388-98-4)
- 2-Chloro-3-(difluoromethyl)-6-methoxypyridine (CAS 1803709-37-6)
- 3-Bromo-2-fluoro-6-nitroaniline (CAS 1804841-26-6)
- (E)-3-ethoxy-2-(naphthalen-2-ylsulfonyl)acrylonitrile (CAS 32083-61-7)
- Clozapine (CAS 5786-21-0)
- 1-ethynyl-3-fluorocyclobutane (CAS 1698054-37-3)
- Semaglutide impurity 49 (CAS CATO-C4X-222649)
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