Methyl 4-chloro-3-(methylthio)benzoate CAS 166811-70-7
| CAS No. | 166811-70-7 |
| Molecular Formula | C9H9ClO2S |
| Molecular Weight | 216.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Methyl 4-chloro-3-(methylthio)benzoate (CAS 166811-70-7), a certified reference material (molecular formula C9H9ClO2S, MW 216.68 g/mol) for analytical method development and quality control.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, Methyl 4-chloro-3-(methylthio)benzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 216.68 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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 | C9H9ClO2S |
| Molecular Weight | 216.68 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 2004 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 3-Chloro-4-(methylthio)-benzoic acid methyl ester (CAS 105442-23-7)
- N-(2-Chloro-4-fluorobenzyl)propane-1,3-diamine (CAS 1119452-96-8)
- 1-(2-Chloro-4-fluorophenyl)pentan-2-ol (CAS 1247766-05-7)
- 5-chloro-2-(ethylsulfanyl)benzoic acid (CAS 1249627-95-9)
- 1-(2-Chloro-6-fluorophenyl)pentan-2-ol (CAS 1249992-12-8)
- 3-(2-Chloro-6-fluorophenyl)-2,2-dimethylpropan-1-ol (CAS 1267672-31-0)
- N1-(2-chloro-6-fluorobenzyl)-N1-methylethane-1,2-diamine (CAS 1302879-97-5)
- 4-Chloro-2-(ethylsulfanyl)benzoic acid (CAS 1339600-61-1)
Recommended Standards
- Methyl 2-((4-chlorophenyl)thio)acetate (CAS 15446-15-8)
- 4-Cyclopropylbenzene-1-sulfonyl chloride (CAS 167404-32-2)
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- 2-Cyclopropylbenzenesulfonyl chloride (CAS 1772586-39-6)
- 2-Chloro-5-cyclopropylpyrazine (CAS 1244761-68-9)
- 1-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)-N-methylmethanamine (CAS 709649-64-9)
- (3-Fluoro-4-(piperidin-1-yl)phenyl)methanol (CAS 677312-75-3)
- Methyl 2-(3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)acetate (CAS 1416340-58-3)
- Trofosfamide-d (CAS 1189884-36-3)
- methyl 2-hydroxy-3-(2-methylprop-2-en-1-yl)benzoate (CAS 92847-95-5)
- 1,3-Dimethyl-2,3-dihydro-1H-imidazol-1-ium tetrafluoroborate (CAS 121091-31-4)
- 2-Phenoxyethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 503864-60-6)
- 5-(Amino(phenyl)methyl)-N-cyclopropyl-3-methylpyridin-2-amine (CAS 1355231-93-4)
- Bradykinin-Like Neuropeptide (Aplysia californica) (H-1654.0001) (CAS 165174-60-7)
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