3-(Trifluoromethoxy)benzonitrile CAS 52771-22-9
| CAS No. | 52771-22-9 |
| Molecular Formula | C8H4F3NO |
| Molecular Weight | 187.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(Trifluoromethoxy)benzonitrile (CAS 52771-22-9), molecular formula C8H4F3NO and molecular weight 187.12 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H4F3NO, 3-(Trifluoromethoxy)benzonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 187.12 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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-(Trifluoromethoxy)benzonitrile 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 | C8H4F3NO |
| Molecular Weight | 187.12 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Trifluoromethoxy Standards
- 2-(Trifluoromethoxy)benzonitrile (CAS 63968-85-4)
- 4-(Trifluoromethoxy)benzonitrile (CAS 332-25-2)
- 5-(Trifluoromethoxy)picolinonitrile (CAS 1206978-22-4)
- 6-(Trifluoromethoxy)picolinonitrile (CAS 1361696-28-7)
- 2-(Trifluoromethoxy)isonicotinonitrile (CAS 1361748-59-5)
- 5-(Trifluoromethoxy)nicotinonitrile (CAS 1361849-18-4)
- 1-(Trifluoromethoxy)-4-vinylbenzene (CAS 1736-08-9)
- 3-(Trifluoromethoxy)pyrazine-2-carbonitrile (CAS 1261738-10-6)
Recommended Standards
- 3-(Aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid (CAS 929975-06-4)
- 3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine (CAS 956010-87-0)
- 2-Hydroxy-5-(trifluoromethoxy)benzonitrile (CAS 875664-40-7)
- 3,3,5-Trifluoroindolin-2-one (CAS 874569-53-6)
- 3-Chloro-N-ethyl-4-methoxyaniline (CAS 102236-60-2)
- (S)-1-(4-Methyl-1H-pyrazol-3-yl)ethan-1-ol (CAS 2350573-37-2)
- 3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-N-hydroxypropanimidamide (CAS 887202-37-1)
- 2-Methyl-3-((2-nitrophenyl)thio)indolizine-1-carbaldehyde (CAS 885457-29-4)
- 4-Cyclopropoxy-N,3-dimethylaniline (CAS 1243368-65-1)
- 3-(Azetidin-3-yl)pyridazine (CAS 1237171-05-9)
- 1-(4-Chloro-2-fluorophenyl)-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}pyrrolidine-2,5-dione (CAS 321430-90-4)
- (R)-1-(4-fluoro-3-methoxyphenyl)propan-1-amine (CAS 1213089-54-3)
- tert-Butyl 4-(5-(1-hydroxypropyl)-3-methylpyridin-2-yl)piperazine-1-carboxylate (CAS 1355172-28-9)
- Liraglutide Impurity 6 TFA Salt (CAS CATO-C4X-19926)
Why CATO?
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