Methyl 4-cyano-3-(trifluoromethyl)benzoate CAS 1233243-95-2
| CAS No. | 1233243-95-2 |
| Molecular Formula | C10H6F3NO2 |
| Molecular Weight | 229.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 4-cyano-3-(trifluoromethyl)benzoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Methyl 4-cyano-3-(trifluoromethyl)benzoate (CAS 1233243-95-2), a certified reference material (molecular formula C10H6F3NO2, MW 229.16 g/mol) for analytical method development and quality control.
The molecular framework of Methyl 4-cyano-3-(trifluoromethyl)benzoate (C10H6F3NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), Methyl 4-cyano-3-(trifluoromethyl)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 | C10H6F3NO2 |
| Molecular Weight | 229.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- Methyl 2-cyano-3-(trifluoromethyl)benzoate (CAS 1211596-75-6)
- 2-(4-Cyano-3-(trifluoromethyl)phenyl)acetic acid (CAS 1402446-14-3)
- Methyl 5-cyano-2-(trifluoromethyl)benzoate (CAS 1415089-89-2)
- Methyl 4-cyano-2-(trifluoromethyl)benzoate (CAS 1641588-74-0)
- Methyl 3-cyano-4-(trifluoromethyl)benzoate (CAS 1804461-29-7)
- Methyl 2-cyano-4-(trifluoromethyl)benzoate (CAS 61500-86-5)
- Methyl 3-Cyano-5-(trifluoromethyl)benzoate (CAS 942077-15-8)
- 4-Cyano-5-(difluoromethyl)-2-methoxy-3-nitropyridine (CAS 1806955-17-8)
Recommended Standards
- 5-[4-(Trifluoromethoxy)phenyl]-1,3-oxazole (CAS 1227954-44-0)
- 7-(Trifluoromethoxy)quinolin-2(1H)-one (CAS 1239461-99-4)
- 122454-46-0 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionitrile 3-oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile 4-(Trifluoromethoxy)benzoyl acetonitrile 4-(Trifluoromethoxy)benzoylacetonitrile 97% (CAS 122454-46-0)
- 1-[5-(trifluoromethyl)pyridin-2-yl]-1h-1,2,4-triazol-5-amine (CAS 1249569-04-7)
- [S(S)]-N-[(1S)-1-(4-Bromo-3-fluorophenyl)ethyl]-2-methyl-2-propanesulfinamide (CAS 2813339-48-7)
- n-(4-((Difluoromethyl)thio)phenyl)furan-2-carboxamide (CAS 903791-00-4)
- 1-(((Tetrahydrofuran-3-yl)amino)methyl)cyclohexan-1-ol (CAS 1487874-45-2)
- N-(5-Amino-2-methoxyphenyl)-4-(2,4-dichlorophenoxy)butanamide (CAS 1020054-48-1)
- 2-((Thiophen-3-ylmethyl)amino)ethan-1-ol (CAS 892592-45-9)
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- 4,5,6-Trichloroisophthalonitrile (CAS 124739-66-8)
- 2-Iodo-N-(4-methoxyphenyl)-N-methylbenzamide (CAS 36684-52-3)
- 2-cyclopropylpropane-1,2-diamine dihydrochloride (CAS 1311314-35-8)
- TRAF6 Control Peptide trifluoroacetate salt (CAS 852690-80-3)
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