Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate CAS 2137649-82-0
| CAS No. | 2137649-82-0 |
| Molecular Formula | C8H4ClF3O4S |
| Molecular Weight | 288.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 288.63 g/mol gives Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate (CAS 2137649-82-0), molecular formula C8H4ClF3O4S and molecular weight 288.63 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 5-(chlorosulfonyl)-2,3,4-trifluorobenzoate (C8H4ClF3O4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine 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 288.63 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C8H4ClF3O4S |
| Molecular Weight | 288.63 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, 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.) | 1997 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 4-(chlorosulfonyl)-2-(trifluoromethyl)benzoic acid (CAS 1423031-79-1)
- Methyl 1-(4-(chlorosulfonyl)phenyl)cyclobutane-1-carboxylate (CAS 2407349-26-0)
- Methyl 3-(chlorosulfonyl)-1-methyl-1h-indole-2-carboxylate (CAS 1423030-96-9)
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- Methyl (5-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate (CAS 79213-74-4)
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- 6-(Chlorosulfonyl)-2-hydroxy-1-naphthoic acid (CAS 70714-67-9)
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Recommended Standards
- Delafloxacin Impurity 1 (CAS 941867-82-9)
- Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate (CAS 1261956-26-6)
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- (6-Chloro-3-nitropyridin-2-yl)asparagine (CAS 1396964-24-1)
- (S)-2-(3-(3-Fluoro-4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl)acetic acid (CAS 899433-52-4)
- Sodium (Z)-1,1,1-trifluoro-4-(furan-2-yl)-4-oxobut-2-en-2-olate (CAS 1300732-79-9)
- 2',3'-Dihydro-1'H-spiro[cyclopropane-1,4'-isoquinoline]-5'-carbonitrile hydrochloride (CAS 1203685-03-3)
- 4-Bromo-6-chloro-N-cyclopropylpyridazin-3-amine (CAS 1396762-18-7)
- 2-Cyano-4-nitrobenzene-1-sulfonyl chloride (CAS 1099632-44-6)
- Quetiapine Impurity 85 (CAS 141691-24-9)
- 4-(2-Chlorophenyl)piperazine-1-carboximidamide hydroiodide (CAS 852228-16-1)
- 4-Methylisoquinolin-5-amine (CAS 194032-18-3)
- 1,1,3,5,5-Pentamethyl-1,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)trisiloxane (CAS 521069-00-1)
- Fragment-[3-31]-Semaglutide (CAS CATO-C4X-2226113)
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