(5R,7R)-7-fluoro-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate CAS 1311991-39-5
| CAS No. | 1311991-39-5 |
| Molecular Formula | C14H12F6N3 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (5R,7R)-7-fluoro-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies (5R,7R)-7-fluoro-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate (CAS 1311991-39-5), a certified reference material (molecular formula C14H12F6N3BF4, MW 423.06 g/mol) for analytical method development and quality control.
The molecular framework of (5R,7R)-7-fluoro-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate (C14H12F6N3BF4) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures (5R,7R)-7-fluoro-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate 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 | C14H12F6N3 BF4 |
| Molecular Weight | 423.06 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 5.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 1-Tosylpiperazine, HCl (CAS 856843-84-0)
- 1,3-Phenylenebis(phosphonic acid) (CAS 78271-46-2)
- Bis(4-bromothiophen-3-yl)methane (CAS 17965-64-9)
- (S,S)-BisPh-propabBox (CAS 529489-04-1)
- Methyl 7-methoxy-2-naphthoate (CAS 5088-92-6)
- 4-(5-Phenyloxazol-2-yl)benzaldehyde (CAS 61351-62-0)
- 2-(1-Ethoxyvinyl)pyrimidine (CAS 1374582-22-5)
- N-methylthiophen-3-amine hydrochloride (CAS 1909337-35-4)
- 8-(Trifluoromethyl)chroman-4-amine hydrochloride (CAS 1392212-91-7)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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