4-Chloro-2-(chlorosulfonyl)benzoic acid methyl ester, 97% CAS 85392-01-4
| CAS No. | 85392-01-4 |
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 269.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Chloro-2-(chlorosulfonyl)benzoic acid methyl ester, 97% is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Chloro-2-(chlorosulfonyl)benzoic acid methyl ester, 97% (CAS 85392-01-4) is a high-purity analytical reference standard with the molecular formula C8H6Cl2O4S and a molecular weight of 269.10 g/mol.
The molecular framework of 4-Chloro-2-(chlorosulfonyl)benzoic acid methyl ester, 97% (C8H6Cl2O4S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), 4-Chloro-2-(chlorosulfonyl)benzoic acid methyl ester, 97% 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 | C8H6Cl2O4S |
| Molecular Weight | 269.10 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.) | 1981 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Chloro Standards
- Methyl 4-chloro-3-(chlorosulfonyl)benzoate (CAS 1000933-19-6)
- Methyl 5-chloro-2-(chlorosulfonyl)benzoate (CAS 1119454-19-1)
- Methyl 3-chloro-5-(chlorosulfonyl)benzoate (CAS 1155083-83-2)
- 3-Chloro-5-(chlorosulfonyl)-4-methylbenzoic acid (CAS 1341830-84-9)
- 4-Chloro-3-(chlorosulfonyl)-5-methylbenzoic acid (CAS 1423024-38-7)
- 5-Chloro-3-(chlorosulfonyl)-2-methylbenzoic acid (CAS 1423028-58-3)
- 3-chloro-5-(chlorosulfonyl)-2-methylbenzoic acid (CAS 1702890-75-2)
- 6-Chloro-2,3-dihydro-1,4-benzodioxine-5-sulfonyl chloride (CAS 1785272-64-1)
Recommended Standards
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- 3-Amino-5-bromo-1H-indole-2-carbohydrazide (CAS 843619-80-7)
- Methyl 2-chloro-4-(chlorosulfonyl)benzoate (CAS 260968-87-4)
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- (4-Methyl-3-phenyl-1H-pyrrol-2-yl)methanol (CAS 188716-78-1)
- 2,3-Difluoro-4-isopropoxybenzaldehyde (CAS 2404734-10-5)
- 4-(2,2-Dimethylpyrrolidin-1-yl)piperidine (CAS 1061682-59-4)
- 2-Amino-3-(4-chloro-3-(trifluoromethyl)phenyl)propanoic acid hydrochloride (CAS 1956306-12-9)
- 2-(2-(3,4,5-Trimethoxyphenyl)thiazol-4-yl)acetic acid (CAS 927973-63-5)
- 1-(5-Chloro-2-fluorophenyl)-1-propanone (CAS 1214331-16-4)
- 2-Amino-4-methylbenzoic Acid (CAS 2305-36-4)
- D-Ser39-Tirzepatide (CAS CATO-CPTD788694)
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