3,5-bis(trifluoromethyl)phenyl isocyanate CAS 16588-74-2
| CAS No. | 16588-74-2 |
| Molecular Formula | C9H9F6NO |
| Molecular Weight | 261.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 3,5-bis(trifluoromethyl)phenyl isocyanate (CAS 16588-74-2), a certified reference material (molecular formula C9H9F6NO, MW 261.16 g/mol) for analytical method development and quality control.
3,5-bis(trifluoromethyl)phenyl isocyanate (C9H9F6NO) contains an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C9H9F6NO |
| Molecular Weight | 261.16 g/mol |
| Appearance | 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1961 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related bis Standards
- 5-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-1,2-oxazole-3-carboxylic acid (CAS 1306119-72-1)
- 2-(Trifluoromethyl)-4-((trifluoromethyl)thio)aniline (CAS 1137505-68-0)
- 3-(Trifluoromethyl)-4-((trifluoromethyl)thio)aniline (CAS 1301739-31-0)
- methyl 2-(3-(trifluoromethyl)benzamido)acetate (CAS 131648-66-3)
- N-(3-Trifluoromethyl-phenyl)-succinamic acid (CAS 15386-93-3)
- 1-(6-(Trifluoromethyl)pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CAS 1707399-77-6)
- Ethyl {[3-(trifluoromethyl)phenyl]carbamoyl}formate (CAS 17738-86-2)
- (6-(Trifluoromethyl)pyrimidin-4-yl)proline (CAS 1823198-79-3)
Recommended Standards
- 3-(bromomethyl)-1-methyl-1,2-dihydroquinoxalin-2-one (CAS 1501-41-3)
- (2-Bromo-2-phenylethyl)benzene (CAS 16766-97-5)
- 3'-(Bromomethyl)-2-methyl-1,1'-biphenyl (CAS 146534-28-3)
- 1-bromo-3-cyclopropylimidazo[1,5-a]pyrazin-8-amine (CAS 1777823-23-0)
- N-Nitroso Guvacoline-d4 (CAS 1330277-21-8)
- N-(5-amino-2-methylphenyl)cyclobutanecarboxamide (CAS 926223-22-5)
- Tert-butyl (S)-(1-(4-(benzyloxy)phenyl)-3-oxopropyl)carbamate (CAS 1391068-17-9)
- 4-Fluoro-3-methyl-5-(trifluoromethyl)benzoic acid (CAS 1373920-63-8)
- 4-Bromo-2-(fluoromethyl)-1-(trifluoromethyl)benzene (CAS 2244086-36-8)
- Azapropazone (CAS 13539-59-8)
- Ethyl 5-acetamidofuran-2-carboxylate (CAS 777-50-4)
- 5-Allyl-4,6-dichloropyrimidine (CAS 16019-31-1)
- Solvent Blue 4 (CAS 6786-83-0)
- Ac-(5-31)Semaglutide (CAS CATO-C4X-2226279)
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