2-Chlorobenzyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)propanoate CAS 339010-48-9
| CAS No. | 339010-48-9 |
| Molecular Formula | C16H12Cl2F3NO2 |
| Molecular Weight | 378.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 378.17 g/mol gives 2-Chlorobenzyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)propanoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-Chlorobenzyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)propanoate (CAS 339010-48-9) is a high-purity analytical reference standard with the molecular formula C16H12Cl2F3NO2 and a molecular weight of 378.17 g/mol.
The molecular framework of 2-Chlorobenzyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)propanoate (C16H12Cl2F3NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, 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.
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 | C16H12Cl2F3NO2 |
| Molecular Weight | 378.17 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| 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 |
Related Chlorobenzyl Standards
- 3-Chlorobenzyl 1-(3-chlorobenzyl)piperidine-2-carboxylate (CAS 1261229-53-1)
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- 3-Chlorobenzyl 1-(3-chlorobenzyl)piperidine-3-carboxylate (CAS 1353980-13-8)
- 1-(3-Chlorobenzyl)-3-methyl-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011398-52-9)
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- N-(4-chlorobenzyl)-2-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide (CAS 338417-61-1)
- 1-(2-Chlorobenzyl)-2-(3,4-dimethoxyphenyl)-1h-benzo[d]imidazole (CAS 431976-91-9)
Recommended Standards
- 2-(4-Bromophenyl)-3-hydroxy-5,7-dimethoxy-4H-pyrano[3,2-c]pyridin-4-one (CAS 2098196-76-8)
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- (5-Amino-1-(2,4-difluorophenyl)-1H-pyrazol-4-yl)(4-bromophenyl)methanone (CAS 618091-69-3)
- 2-Bromo-5,5-dimethyl-3-((4-(trifluoromethoxy)phenyl)amino)cyclohex-2-en-1-one (CAS 1024074-55-2)
- 5-(Trifluoromethoxy)pyrazine-2-carbaldehyde (CAS 1261456-16-9)
- 3-(Methyl(phenyl)amino)pyrrolidine-1-carboxamide (CAS 20984-63-8)
- 7612-96-6 4-Phenylazophenylisothiocyanate Isothiocyanic acid, (p-phenylazo)phenyl ester 3-16-00-00356 (Beilstein Handbook Reference) BRN 0745897 p-Phenylazophenyl isothiocyanate (CAS 7612-96-6)
- 2-Bromo-6,7-dimethoxyquinazolin-4(3H)-one (CAS 2280862-14-6)
- n-(3,5-Dichlorobenzyl)-2-methylpropan-2-amine (CAS 1183793-56-7)
- n-(2-Fluoro-4-methylphenyl)tetrahydro-2h-pyran-4-amine (CAS 1157009-65-8)
- 1-((4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)methyl)-1H-benzo[d][1,2,3]triazole (CAS 305860-93-9)
- Ethyl 3-chlorothieno[2,3-c]pyridine-2-carboxylate (CAS 1603136-56-6)
- (R)-2-Amino-5-hydroxypentanoic acid (CAS 6152-90-5)
- Acetyl Tetrapeptide-11 (CAS 928006-88-6)
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