1-(4-(Trifluoromethoxy)phenyl)-1H-pyrrole-2-carbonitrile CAS 439094-22-1
| CAS No. | 439094-22-1 |
| Molecular Formula | C12H7F3N2O |
| Molecular Weight | 252.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-(4-(Trifluoromethoxy)phenyl)-1H-pyrrole-2-carbonitrile (CAS 439094-22-1), molecular formula C12H7F3N2O and molecular weight 252.19 g/mol, is a CATO reference standard with documented purity and traceability.
1-(4-(Trifluoromethoxy)phenyl)-1H-pyrrole-2-carbonitrile (C12H7F3N2O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C12H7F3N2O |
| Molecular Weight | 252.19 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoromethoxy Standards
- 8-(trifluoromethoxy)-1,2,3,4-tetrahydroquinazoline-2,4-dione (CAS 959236-83-0)
- 4-(Trifluoromethoxy)-1,4'-bipiperidine (CAS 2306272-63-7)
- 5-(Trifluoromethoxy)benzo[d]thiazole-2(3H)-thione (CAS 155559-82-3)
- 6-(Trifluoromethoxy)benzo[d]thiazole-2(3H)-thione (CAS 235101-85-6)
- N-(3-(Trifluoromethoxy)phenyl)hydrazinecarbothioamide (CAS 1152549-22-8)
- 2-(3-(Trifluoromethoxy)phenoxy)ethanethioamide (CAS 952182-84-2)
- 2-(4-(Trifluoromethoxy)phenoxy)ethanethioamide (CAS 952183-07-2)
- 5-Methyl-2-(4-(trifluoromethoxy)phenyl)pyridine (CAS 1261767-88-7)
Recommended Standards
- (2-((tert-Butyldimethylsilyl)oxy)phenyl)boronic acid (CAS 929277-63-4)
- 2-(((5-Bromothiophen-2-yl)methyl)thio)ethan-1-amine (CAS 852916-58-6)
- Pyrazin-2-yl(3-(trifluoromethyl)phenyl)methanone (CAS 174813-01-5)
- 2-(2,3-Difluoro-4-sulfophenyl)acetic acid (CAS 887586-42-7)
- 4-Bromo-5-chloro-N-isopropylfuran-2-carboxamide (CAS 1427015-29-9)
- 3-carbamoylbicyclo[1.1.1]pentane-1-carboxylic acid (CAS 147950-39-8)
- 1-(3-Nitrophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid (CAS 62160-88-7)
- 7-Chloro-2-(p-tolyl)oxazolo[5,4-d]pyrimidine (CAS 1018142-92-1)
- 2-(Benzo[d]isoxazol-3-yl)ethan-1-ol (CAS 57148-90-0)
- (S)-1,3-Dimethyl-2-oxoimidazolidine-4-carboxylic acid (CAS 1069090-20-5)
- Methyl 2-bromocyclopropanecarboxylate (CAS 98021-77-3)
- tert-Butyl (2-cyano-4-(trifluoromethyl)phenyl)carbamate (CAS 1565979-05-6)
- (2S,4S)-4-(4-(benzyloxy)phenoxy)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid (CAS 1354487-22-1)
- Tirzepatide Impurity 13 (CAS CATO-C4X-324013)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com