4-Chloro-3-(methoxycarbonyl)benzoic acid CAS 41684-06-4
| CAS No. | 41684-06-4 |
| Molecular Formula | C9H7ClO4 |
| Molecular Weight | 214.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-Chloro-3-(methoxycarbonyl)benzoic acid (CAS 41684-06-4), molecular formula C9H7ClO4 and molecular weight 214.60 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, 4-Chloro-3-(methoxycarbonyl)benzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 214.60 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.
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 | C9H7ClO4 |
| Molecular Weight | 214.60 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | Cl-containing |
Related Chloro Standards
- 4-chloro-2-(difluoromethyl)quinazoline (CAS 1039312-08-7)
- 3-Chloro-6-((trifluoromethyl)thio)pyridazine (CAS 1206523-89-8)
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- 4-Chloro-2-(methoxycarbonyl)benzoic acid (CAS 1310531-95-3)
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- 6-Chloro-2-formyl-3-hydroxy-benzoic acid methyl ester (CAS 1427373-63-4)
- 2-(4-Chloro-2-formylphenoxy)acetic acid (CAS 14440-47-2)
Recommended Standards
- 4-(Chlorocarbonyl)phenyl methyl carbonate (CAS 78152-12-2)
- 4-Chloro-5,8-difluoro-2-methylquinazoline (CAS 825654-56-6)
- 3-Chloro-4-(methoxycarbonyl)benzoic acid (CAS 55737-77-4)
- 4-Methoxycarbonylphenyl chloroformate (CAS 31140-40-6)
- 4-Chloro-7-fluoro-6-methoxyquinoline-3-carboxamide (CAS 851973-15-4)
- 4-aminothieno[3,2-c]pyridine-7-carboxylic acid (CAS 1368324-10-0)
- 2-(5-Oxopyrrolidin-2-ylidene)ethyl 3-oxobutanoate (CAS 62565-11-1)
- (1R,2S)-2-Amino-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propan-1-ol hydrochloride (CAS 1028459-57-5)
- 2-Naphthalenamine, N-ethyl- 2-Naphthylamine, N-ethyl- 2437-03-8 Ethyl-.beta.-naphthylamine N-Ethyl-.beta.-naphthylamine N-Ethyl-2-naphthylamine NSC-405128 NSC405128 (CAS 2437-03-8)
- Diphenyl(6-methyl-2-pyridyl)phosphine (CAS 132682-77-0)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzonitrile (CAS 95711-33-4)
- 3-Iodo-1H-indole-2-carbohydrazide (CAS 1227954-74-6)
- Ethyl 6-(chloromethyl)-4-(3-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 1260949-64-1)
- Tau Peptide (268-282) trifluoroacetate salt (CAS 330456-37-6)
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