Methyl 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzoate CAS 1820704-79-7
| CAS No. | 1820704-79-7 |
| Molecular Formula | C15H10ClF3O3 |
| Molecular Weight | 330.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzoate (CAS 1820704-79-7), molecular formula C15H10ClF3O3 and molecular weight 330.69 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzoate (C15H10ClF3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, a polycyclic aromatic system. 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 330.69 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), Methyl 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzoate 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 | C15H10ClF3O3 |
| Molecular Weight | 330.69 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, 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Cl-containing |
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Recommended Standards
- Methyl 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzoate (CAS 1820675-34-0)
- Methyl 4-chloro-2-hydroxy-3-(trifluoromethyl)-[1,1-biphenyl]-4-carboxylate (CAS 1951451-61-8)
- 4-Chloro-2-(4-(trifluoromethoxy)phenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CAS 1956381-44-4)
- (E)-3-Chloro-N'-hydroxy-N-[(pyridin-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboximidamide (CAS 320420-32-4)
- Propane-1,1,1,2,3,3,3-d7 (gas) (CAS 7371-42-8)
- Methyl 3-nitro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate (CAS 1190322-85-0)
- Ethyl 3-Hydroxy-4-nitrobenzoate (CAS 717-01-1)
- (Z)-4-((2-bromophenyl)amino)-4-oxobut-2-enoic acid (CAS 59652-95-8)
- 4-Isopropyl-1-phenyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one (CAS 1105196-52-8)
- 6-Bromo-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CAS 2361496-76-4)
- 2-({[(2,4-difluorophenyl)carbamoyl]methyl}sulfanyl)acetic acid (CAS 338793-67-2)
- 3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-hexyldecyl)-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione (CAS 1000623-98-2)
- Ethyl 1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CAS 172648-34-9)
- Myristoyl Pentapeptide-4 (CAS 1392416-25-9)
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