3,4-Dichloro-N-(2-methyl-2-((3-(trifluoromethyl)benzyl)thio)propyl)benzamide CAS 339104-44-8
| CAS No. | 339104-44-8 |
| Molecular Formula | C19H18Cl2F3NOS |
| Molecular Weight | 436.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3,4-Dichloro-N-(2-methyl-2-((3-(trifluoromethyl)benzyl)thio)propyl)benzamide (C19H18Cl2F3NOS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 436.32 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
3,4-Dichloro-N-(2-methyl-2-((3-(trifluoromethyl)benzyl)thio)propyl)benzamide (CAS 339104-44-8), molecular formula C19H18Cl2F3NOS and molecular weight 436.32 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C19H18Cl2F3NOS |
| Molecular Weight | 436.32 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-((4-Bromophenyl)sulfonyl)-4-butyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 329701-66-8)
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- Arbidol impurity 44 (CAS CATO-C4X-112944)
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- 3-(4-(Trifluoromethoxy)phenyl)acrylaldehyde (CAS 183800-94-4)
- tert-Butyl (5-bromo-6-methylpyrazin-2-yl)carbamate (CAS 1824293-31-3)
- 3-Ethoxy-2-fluoro-2-methyl-3-oxopropanoic acid (CAS 100701-51-7)
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- 4-(tert-Butyl) 2-ethyl 6-iodo-4H-thieno[3,2-b]pyrrole-2,4-dicarboxylate (CAS 2820190-47-2)
- 3-Hydroxy-3-methylpentanoic acid (CAS 150-96-9)
- 2526-64-9 Dichlorotriphenylphosphorane Triphenylphosphine dichloride (CAS 2526-64-9)
- 5,12-Dibromo-2,9-bis(2-octyldodecyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone (CAS 1100243-37-5)
- Insulin Degludec Impurity 19 (CAS CATO-C4X-215719)
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