3-Oxo-3-{4-[3-(trifluoromethyl)phenoxy]phenyl}propanenitrile CAS 136562-78-2
| CAS No. | 136562-78-2 |
| Molecular Formula | C16H10F3NO2 |
| Molecular Weight | 305.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 305.25 g/mol gives 3-Oxo-3-{4-[3-(trifluoromethyl)phenoxy]phenyl}propanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Oxo-3-{4-[3-(trifluoromethyl)phenoxy]phenyl}propanenitrile (CAS 136562-78-2) is a high-purity analytical reference standard with the molecular formula C16H10F3NO2 and a molecular weight of 305.25 g/mol.
The molecular framework of 3-Oxo-3-{4-[3-(trifluoromethyl)phenoxy]phenyl}propanenitrile (C16H10F3NO2) 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. 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.
CATO manufactures 3-Oxo-3-{4-[3-(trifluoromethyl)phenoxy]phenyl}propanenitrile 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 | C16H10F3NO2 |
| Molecular Weight | 305.25 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Oxo Standards
- 3-(3-(3-(Trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)aniline (CAS 1082892-32-7)
- 3-(5-(3-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)aniline (CAS 1082913-30-1)
- 4-[(E)-[4-(trifluoromethyl)phenyl]methyleneamino]-3h-isobenzofuran-1-one (CAS 1207454-88-3)
- 4-(5-(3-(Trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)phenol (CAS 1315348-94-7)
- 3-(5-(3-(Trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)phenol (CAS 1315372-31-6)
- 2-(5-(3-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)aniline (CAS 1416344-88-1)
- 3-(5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)aniline (CAS 1416347-81-3)
- 4-(5-(4-(Trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)aniline (CAS 143703-86-0)
Recommended Standards
- 4-[(tert-Butoxycarbonyl)amino]-2-(trifluoromethyl)benzoic acid (CAS 1326229-55-3)
- Benzyl 5-cyano-2-(trifluoromethyl)benzoate (CAS 1381846-24-7)
- 3-Amino-2-(4-(trifluoromethyl)phenyl)quinazolin-4(3H)-one (CAS 1238868-51-3)
- 2-((tert-Butoxycarbonyl)amino)-3-(trifluoromethyl)benzoic acid (CAS 141940-27-4)
- 5-((Ethylthio)methyl)pyrimidine-2,4(1H,3H)-dione (CAS 4874-41-3)
- N-(3-bromo-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea (CAS 223580-83-4)
- N-((2-(difluoromethoxy)phenyl)carbamothioyl)benzamide (CAS 674366-19-9)
- 2,6-Dibromo-4-ethylaniline (CAS 10546-63-1)
- 2-Propenoic acid, 2-methyl-, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl ester (CAS 6014-75-1)
- (2E)-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol (CAS 287929-73-1)
- 2,4,5-Triphenylthiazole (CAS 2104-11-2)
- 1-(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N,N-dimethylmethanamine (CAS 1708401-85-7)
- Methyl 3-bromo-2-fluoro-2-methylpropanoate (CAS 4161-54-0)
- Casein Kinase II Receptor Peptide (CAS 198481-81-1)
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