5-(2-Chloro-4-(methylthio)phenyl)-5-oxovaleric acid CAS 951889-90-0
| CAS No. | 951889-90-0 |
| Molecular Formula | C12H13ClO3S |
| Molecular Weight | 272.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-(2-Chloro-4-(methylthio)phenyl)-5-oxovaleric acid (CAS 951889-90-0) is a high-purity analytical reference standard with the molecular formula C12H13ClO3S and a molecular weight of 272.75 g/mol.
Structurally, 5-(2-Chloro-4-(methylthio)phenyl)-5-oxovaleric acid (C12H13ClO3S) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 272.75 g/mol, it falls into the medium-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C12H13ClO3S |
| Molecular Weight | 272.75 g/mol |
| 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 chloroform, dichloromethane, ethyl acetate, 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.) | 1987 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 4-chloro-6-phenyl-2-(thiophen-2-yl)pyrimidine (CAS 1155152-85-4)
- 2-Chloro-1-(4-(thiophene-3-carbonyl)piperazin-1-yl)ethan-1-one (CAS 1178020-04-6)
- 3-Chloro-4-cyano-n,n-diethylbenzenesulfonamide (CAS 1223164-03-1)
- 2-Chloro-n-(1-cyanobutyl)benzenesulfonamide (CAS 1285417-26-6)
- 8-Chloro-4,4-dimethylthiochroman-6-carbaldehyde 1,1-dioxide (CAS 1350761-72-6)
- 6-Chloro-2-phenylquinazoline-4(3H)-thione (CAS 13961-52-9)
- 2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine (CAS 1461706-13-7)
- 1-Chloro-3-(4-(2-fluorophenyl)piperazin-1-yl)propan-2-ol (CAS 865660-68-0)
Recommended Standards
- 4-Chloro-2-{[2-(morpholin-4-yl)ethyl]amino}-1,3-thiazole-5-carbonitrile (CAS 866155-99-9)
- 5-Chloro-3-phenylbenzo[b]thiophene-2-carbaldehyde (CAS 50451-81-5)
- 3-Chloro-5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-thiazole-4-carbonitrile (CAS 866009-32-7)
- Ethyl 2-{[(4-chloroanilino)carbothioyl]amino}acetate (CAS 321433-76-5)
- 7-Fluoro-4-methoxyisoquinolin-1(2H)-one (CAS 630423-45-9)
- Potassium bis(2-hydroxyethyl)sulfamate (CAS 210306-72-2)
- [3-Fluoro-4-(2-fluorophenyl)phenyl]methanamine (CAS 1214336-12-5)
- Ethyl 2-(bromomethyl)-6-methylbenzoate (CAS 635316-53-9)
- Ethyl 3,4-dihydroisoquinoline-1-carboxylate (CAS 88612-00-4)
- 5-Chloro-2-[4-(chloromethyl)phenyl]-1,3-benzothiazole (CAS 1096267-76-3)
- 3-(3-Benzyloxyphenyl)-5-nitrobenzoic acid (CAS 1261912-55-3)
- 3-(Bromomethyl)-5-methoxypyridine (CAS 1227602-65-4)
- 1,3-Dihydro-5,6-dichlorobenzo(c)thiophene-S,S-dioxide1,3-dihydro-5,6-dichlorobenzo(c)thiophene-S,S-dioxide (CAS 87743-20-2)
- β-Asp9-Tirzepatide (CAS CATO-CPTD788931)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com