2-(Isopentylthio)benzoyl chloride CAS 91767-36-1
| CAS No. | 91767-36-1 |
| Molecular Formula | C12H15ClOS |
| Molecular Weight | 242.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(Isopentylthio)benzoyl chloride (CAS 91767-36-1), molecular formula C12H15ClOS and molecular weight 242.76 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H15ClOS, 2-(Isopentylthio)benzoyl chloride contains sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 242.76 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 2-(Isopentylthio)benzoyl chloride 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 | C12H15ClOS |
| Molecular Weight | 242.76 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Isopentylthio Standards
- 4-(Isopentylthio)benzoyl chloride (CAS 1443325-19-6)
- 2-(Isopentylthio)-6-propylpyrimidin-4(1H)-one (CAS 62459-10-3)
- 1-(3-(Isopentylthio)phenyl)ethan-1-ol (CAS 1443304-39-9)
- 2-(Isopentylthio)benzaldehyde (CAS 1443329-86-9)
- 1-(2-(Isopentylthio)phenyl)ethan-1-ol (CAS 1443335-98-5)
- 1-(4-(Isopentylthio)phenyl)ethan-1-ol (CAS 1443354-14-0)
- 2-(Isopentylthio)benzoic acid (CAS 17839-63-3)
- (4-(Isopentylthio)phenyl)boronic acid (CAS 1217500-91-8)
Recommended Standards
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- 4′-Chloro-2-phenylacetophenone (CAS 1889-71-0)
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- Venetoclax Impurity 125 (CAS CATO-C4X-2495125)
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- 8-Chloro-4-hydrazinylquinoline hydrochloride (CAS 1170966-61-6)
- 4-Chloro-5-(2-methoxyethyl)-2-methylpyrimidine (CAS 1403565-09-2)
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- Tert-butyl (S)-2-(chloromethyl)morpholine-4-carboxylate (CAS 1260611-32-2)
- (4S)-3-Acetyl-1,3-thiazolidine-4-carboxylic acid (CAS 104527-63-1)
- α-Methyl-DL-methionine (CAS 2749-07-7)
- Tris(6-methylheptyl)amine (CAS 25549-16-0)
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