4-chloro-3-propylbenzoic acid CAS 42044-91-7
| CAS No. | 42044-91-7 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-chloro-3-propylbenzoic acid (CAS 42044-91-7) is a high-purity analytical reference standard with the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol.
4-chloro-3-propylbenzoic acid (C10H11ClO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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-3-propylbenzoic 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.
Physical & Chemical Properties
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.65 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 1969 |
| Halogen Content | Cl-containing |
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Recommended Standards
- 4-Chloro-3-(pyrrolidin-3-yloxy)pyridine (CAS 2355563-98-1)
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- 4-Chloro-2-((2,2-dimethylhydrazono)methyl)phenol (CAS 284489-44-7)
- 4-Chloro-6-(piperazin-1-yl)pyrimidine (CAS 373356-50-4)
- 1-[(4-Chlorophenyl)methyl]-4-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860651-07-6)
- 2-Phenylquinazoline-4(1H)-thione (CAS 6483-99-4)
- 9-Methyl-6-(pyrrolidin-1-yl)-9H-purin-2-amine (CAS 920317-06-2)
- 3-[2-(thiophen-2-yl)ethynyl]aniline (CAS 930395-89-4)
- Methyl 2-chloro-3-methoxybenzoate (CAS 59425-26-2)
- 2-(3-Methylbenzofuran-2-yl)-5-(pyridin-3-yl)-1,3,4-oxadiazole (CAS 1081133-17-6)
- Diethyl (1,1-difluoro-3-hydroxypropyl)phosphonate (CAS 1225194-19-3)
- 5-Amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid (CAS 2386616-87-9)
- 3-(2-Methyl-1H-indol-3-yl)propan-1-ol (CAS 34609-83-1)
- Exenatide (CAS 141758-74-9)
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