3-Chloro-4-(chlorosulfonyl)benzoic acid CAS 29872-68-2
| CAS No. | 29872-68-2 |
| Molecular Formula | C7H4Cl2O4S |
| Molecular Weight | 255.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, 3-Chloro-4-(chlorosulfonyl)benzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 255.08 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 3-Chloro-4-(chlorosulfonyl)benzoic acid (CAS 29872-68-2), a certified reference material (molecular formula C7H4Cl2O4S, MW 255.08 g/mol) for analytical method development and quality control.
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 | C7H4Cl2O4S |
| Molecular Weight | 255.08 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, water |
| 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.) | 1965 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 2-Chloro-5-(chlorosulfonyl)benzoic acid (CAS 137-64-4)
- 2-Chloro-4-(chlorosulfonyl)benzoic acid (CAS 61953-04-6)
- 3-Chloro-5-(chlorosulfonyl)benzoic acid (CAS 53553-11-0)
- 4-Chloro-2-(chlorosulfonyl)benzoic acid (Bumetanide Impurity) (CAS 923137-49-9)
- 6-Chloro-N4-(4-chlorophenyl)pyrimidine-4,5-diamine (CAS 103505-49-3)
- 5-Chloro-2-(chloromethyl)-6-phenylpyridazin-3(2H)-one (CAS 1206156-64-0)
- 7-Chloro-6-(2-chloroethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CAS 129909-69-9)
- 2-chloro-6-(4-chlorophenoxy)-4-Pyridinamine (CAS 1639298-80-8)
Recommended Standards
- 3-(Benzylcarbamoyl)phenylboronic Acid (CAS 625470-96-4)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2,6-dicarbonitrile (CAS 2223048-32-4)
- [4-[[(4-Methylphenyl)amino]-carbonyl]phenyl]boronic acid (CAS 913198-24-0)
- (4-(Methyl(phenyl)carbamoyl)phenyl)boronic acid (CAS 874219-49-5)
- Methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CAS 832113-96-9)
- Methyl 3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate (CAS 490035-82-0)
- 2-(Difluoromethyl)pyridin-3-ol hydrochloride (CAS 2705262-05-9)
- (2-Iodo-6-methylphenyl)methanol (CAS 1261794-19-7)
- 2-Methylenehexanedioic Acid (CAS 32851-84-6)
- 1-(3,5-Difluorophenyl)cyclopropan-1-amine hydrochloride (CAS 1269188-75-1)
- 3-Hydroxy-5-methylpyrrolidin-2-one (CAS 67706-85-8)
- 4-Bromo-5-(difluoromethyl)-6-(trifluoromethyl)nicotinonitrile (CAS 1804840-71-8)
- 2-(3-Bromo-2,4-difluorophenyl)-1,3-dioxolane (CAS 2484888-96-0)
- Semaglutide impurity 100 (CAS CATO-C4X-2226100)
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