3-(Cyanomethyl)-5-(trifluoromethoxy)benzoic acid CAS 2648588-70-7
| CAS No. | 2648588-70-7 |
| Molecular Formula | C10H6F3NO3 |
| Molecular Weight | 245.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 245.15 g/mol gives 3-(Cyanomethyl)-5-(trifluoromethoxy)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(Cyanomethyl)-5-(trifluoromethoxy)benzoic acid (CAS 2648588-70-7) is a high-purity analytical reference standard with the molecular formula C10H6F3NO3 and a molecular weight of 245.15 g/mol.
3-(Cyanomethyl)-5-(trifluoromethoxy)benzoic acid (C10H6F3NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
CATO manufactures 3-(Cyanomethyl)-5-(trifluoromethoxy)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C10H6F3NO3 |
| Molecular Weight | 245.15 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 sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; 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.) | 2002 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Cyanomethyl Standards
- 2-(4-(Cyanomethyl)piperazin-1-yl)-6-fluorobenzonitrile (CAS 1209263-36-4)
- 4-(4-(Cyanomethyl)piperazin-1-yl)-3-fluorobenzonitrile (CAS 1252341-31-3)
- N-(5-(Cyanomethyl)-1,3,4-thiadiazol-2-yl)benzamide (CAS 93355-73-8)
- (4-Cyanomethyl-benzyl)-carbamic acid tert-butyl ester (CAS 187283-18-7)
- 4-(Cyanomethyl)benzeneboronic acid pinacol ester (CAS 138500-86-4)
- n-(Cyanomethyl)-n-cyclopropylthiophene-2-sulfonamide (CAS 1258708-21-2)
- Ethyl 2-((cyanomethyl)amino)acetate (CAS 71172-40-2)
- 2-((Cyanomethyl)thio)-N-isobutylbenzamide (CAS 1181490-17-4)
Recommended Standards
- 2-(3,5-Dichlorobenzyl)piperazine (CAS 907971-77-1)
- 3-Cyano-4-(2,2,2-trifluoroethoxy)benzoic acid (CAS 856165-85-0)
- 2-(3,4-Dichlorobenzyl)piperazine (CAS 907971-75-9)
- 3-Nitro-2-(trifluoromethyl)-2H-chromene (CAS 890095-37-1)
- N-(5-Cyclopropoxy-6-formylpyridin-3-yl)methanesulfonamide (CAS 1243357-25-6)
- 3-(4-Methoxy-3-(n-methylsulfamoyl)phenyl)acrylic acid (CAS 786728-86-7)
- 2-Chloro-5-isopropylpyrimidine (CAS 596114-50-0)
- Methyl 4-isopropoxycyclohexanecarboxylate (CAS 1224582-23-3)
- 5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CAS 1461715-50-3)
- Diallyldiphenylsilane (CAS 10519-88-7)
- Dimethyl 3-acetylindolizine-1,2-dicarboxylate (CAS 17281-80-0)
- Imipenem Impurity 9 (CAS CATO-C4X-16629)
- 3-(4-Chlorophenyl)-1-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole (CAS 338777-18-7)
- Semaglutide impurity 107 (CAS CATO-C4X-2226107)
Why CATO?
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