N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide CAS 646989-67-5
| CAS No. | 646989-67-5 |
| Molecular Formula | C16H12Cl2F3NOS |
| Molecular Weight | 394.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 394.24 g/mol gives N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide (CAS 646989-67-5), molecular formula C16H12Cl2F3NOS and molecular weight 394.24 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide (C16H12Cl2F3NOS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), N1-(2-{[3-(trifluoromethyl)benzyl]thio}phenyl)-2,2-dichloroacetamide 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 | C16H12Cl2F3NOS |
| Molecular Weight | 394.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-((Bis(2-chloroethyl)amino)methyl)-1,8-dihydroxyanthracene-9,10-dione (CAS 111822-93-6)
- 4-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}benzonitrile (CAS 1788979-16-7)
- Dimethylmalonyl chloride 2,2-Dimethylpropanedioyl dichloride 2,2-Dimethylmalonic acid dichloride 5659-93-8 (CAS 5659-93-8)
- N-(4-Bromo-3-chloro-2-hydroxyphenyl)acetamide (CAS 2409579-85-5)
- 1,5-Dibromo-3-fluoro-2-nitrobenzene (CAS 1416070-81-9)
- Amodiaquine Impurity 17 (CAS 121-78-8)
- 953905-37-8 2-[4-(3-Methylbutoxy)phenyl]ethan-1-amine--hydrogen chloride (1/1) DTXSID40657976 (CAS 953905-37-8)
- 1-(Bicyclo[2.2.1]hept-5-en-2-yl)-N-methylmethanamine (CAS 15907-62-7)
- 3-(2,5-Dimethylphenyl)-2-methoxypropiophenone (CAS 898794-80-4)
- Ambroxol Impurity 39 (CAS 1797894-71-3)
- Angiotensin II Antipeptide (CAS 121379-63-3)
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