2-(Chlorosulfonyl)-4-methylbenzoic acid CAS 80998-71-6
| CAS No. | 80998-71-6 |
| Molecular Formula | C8H7ClO4S |
| Molecular Weight | 234.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-(Chlorosulfonyl)-4-methylbenzoic 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.
2-(Chlorosulfonyl)-4-methylbenzoic acid (CAS 80998-71-6) is a high-purity analytical reference standard with the molecular formula C8H7ClO4S and a molecular weight of 234.66 g/mol.
Structurally, 2-(Chlorosulfonyl)-4-methylbenzoic acid (C8H7ClO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, 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 234.66 g/mol, it falls into the medium-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C8H7ClO4S |
| Molecular Weight | 234.66 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.) | 1980 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Chlorosulfonyl Standards
- 2-[3-(chlorosulfonyl)phenyl]acetic acid (CAS 1314911-30-2)
- 4-(chlorosulfonyl)-3-methylbenzoic acid (CAS 1314960-92-3)
- 3-(chlorosulfonyl)-2-methylbenzoic acid (CAS 631416-27-8)
- 4-(chlorosulfonyl)-2-methylbenzoic acid (CAS 89938-64-7)
- 4-(Chlorosulfonyl)phenyl acetate (CAS 79119-26-9)
- 4-[(chlorosulfonyl)methyl]benzoic acid (CAS 92614-57-8)
- 5-(Chlorosulfonyl)-2-methylbenzoic acid (CAS 89001-57-0)
- Methyl 2-(Chlorosulfonyl)benzoate (CAS 26638-43-7)
Recommended Standards
- 2-(2-Chlorobenzenesulfonyl)acetic acid (CAS 82224-89-3)
- 2,3-Dihydrobenzo[b][1,4]dioxine-2-sulfonyl chloride (CAS 499770-80-8)
- 2-(2-(2-Chloroacetamido)thiazol-4-yl)acetic acid (CAS 65243-18-7)
- 2,3-Dihydrobenzo[b][1,4]dioxine-5-sulfonyl chloride (CAS 87474-15-5)
- 2-((5-Bromopyridin-3-yl)oxy)ethanamine (CAS 1112983-17-1)
- 2-[1-(4-Ethoxy-phenyl)-ethylamino]-ethanolhydrochloride (CAS 1185300-24-6)
- 2-((2-Methoxy-5-methylphenyl)amino)benzoic acid (CAS 24542-66-3)
- 3-Bromo-4'-(tert-butyl)-1,1'-biphenyl (CAS 1443351-07-2)
- 4-Bromo-4'-(methoxymethoxy)-1,1'-biphenyl (CAS 153407-10-4)
- 3-(4-Phenylpyridin-2-yl)cyclohexanone (CAS 1241504-97-1)
- 4-Chloro-3-fluoro-6,7-dimethoxyquinoline (CAS 205448-48-2)
- 1-(4-Piperidyl)-1H-pyrazole-4-boronic Acid (CAS 1146614-42-7)
- 1-(pyrrolidin-3-ylmethyl)-1H-1,2,3-triazole (CAS 1547757-37-8)
- Semaglutide Impurity 189 (CAS CATO-C4X-2226189)
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