112301-96-9 C-Demethyl Clethodim 2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-methylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one CAS 112301-96-9
| CAS No. | 112301-96-9 |
| Molecular Formula | C16H24ClNO3S |
| Molecular Weight | 345.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 112301-96-9 C-Demethyl Clethodim 2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-methylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one.
112301-96-9 C-Demethyl Clethodim 2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-methylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one (CAS 112301-96-9), molecular formula C16H24ClNO3S and molecular weight 345.88 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H24ClNO3S, 112301-96-9 C-Demethyl Clethodim 2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-methylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 345.88 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 112301-96-9 C-Demethyl Clethodim 2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-methylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one 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 | C16H24ClNO3S |
| Molecular Weight | 345.88 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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