2-[2,4-bis(fluoranyl)phenyl]-3-(6-chloranyl-5-fluoranyl-pyrimidin-4-yl)-1-(3-chloranyl-1,2,4-triazol-1-yl)butan-2-ol hydrochloride 3-(6-chloro-5-fluoro-4-pyrimidinyl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-2-butanol hydrochloride 848469-29-4 A840960 CAS 848469-29-4
| CAS No. | 848469-29-4 |
| Molecular Formula | C16H13ClF3N5O |
| Molecular Weight | 383.76 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 2-[2,4-bis(fluoranyl)phenyl]-3-(6-chloranyl-5-fluoranyl-pyrimidin-4-yl)-1-(3-chloranyl-1,2,4-triazol-1-yl)butan-2-ol hydrochloride 3-(6-chloro-5-fluoro-4-pyrimidinyl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-2-butanol hydrochloride 848469-29-4 A840960 (CAS 848469-29-4), a certified reference material (molecular formula C16H13ClF3N5O, MW 383.76 g/mol) for analytical method development and quality control.
Structurally, 2-[2,4-bis(fluoranyl)phenyl]-3-(6-chloranyl-5-fluoranyl-pyrimidin-4-yl)-1-(3-chloranyl-1,2,4-triazol-1-yl)butan-2-ol hydrochloride 3-(6-chloro-5-fluoro-4-pyrimidinyl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-2-butanol hydrochloride 848469-29-4 A840960 (C16H13ClF3N5O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 383.76 g/mol, it falls into the moderately-high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C16H13ClF3N5O |
| Molecular Weight | 383.76 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related bis Standards
- 1,3-bis(fluoranyl)-2-methanidyl-benzene; bromanylzinc(1+) 307496-33-9 A820603 bromozinc(1+); 1,3-difluoro-2-methanidylbenzene (CAS 307496-33-9)
- 5-fluoranyl-3-iodanyl-1H-pyrrolo[2,3-b]pyridine 5-fluoro-3-iodo-1H-pyrrolo[2,3-b]pyridine 900514-10-5 A843431 (CAS 900514-10-5)
- 207853-70-1 A814897 [2-fluoranyl-3-(trifluoromethyl)phenyl]-phenyl-methanone [2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanone (CAS 207853-70-1)
- 31009-34-4 6-fluoranyl-2-(trifluoromethyl)-1H-quinolin-4-one 6-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one A820690 (CAS 31009-34-4)
- 1-[bis(fluoranyl)methyl]-4-bromanyl-2-fluoranyl-benzene 4-bromo-1-(difluoromethyl)-2-fluorobenzene 749932-17-0 A838300 (CAS 749932-17-0)
- 3-fluoranyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 3-fluoropyridine-4-boronic acid pinacol ester 458532-88-2 (CAS 458532-88-2)
- 175204-08-7 2-fluoranyl-6-(4-methylphenoxy)benzenecarbonitrile 2-fluoro-6-(4-methylphenoxy)benzonitrile A811901 (CAS 175204-08-7)
- 261951-82-0 3-fluoranyl-2-(trifluoromethyl)benzoyl chloride 3-fluoro-2-(trifluoromethyl)benzoyl chloride A818307 (CAS 261951-82-0)
Recommended Standards
- 4-{[(E)-2-[3-(2-chloro-6-fluorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenyl]amino}benzoic acid (CAS 338403-15-9)
- Voriconazole Impurity 15 (CAS 137234-76-5)
- Voriconazole Impurity 5 (CAS 137234-75-4)
- Voriconazole Impurity 17（Mixture of Diastereoisomer） (CAS 188416-35-5)
- tert-Butyl 4-(2-hydroxyethylidene)piperidine-1-carboxylate (CAS 198892-80-7)
- 2-Chloropyrimidine-4-carbonyl chloride (CAS 149849-93-4)
- (1H-benzo[d][1,2,3]triazol-1-yl)methyl 4-methylbenzenesulfonate (CAS 302931-53-9)
- 2-Hydroxy-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzaldehyde (CAS 308085-25-8)
- 3-Hydroxy-3,4,5,6,7,8-hexahydro-1H-cyclohepta[c]furan-1-one (CAS 851515-24-7)
- (3-mercaptopropyl)methyldimethoxysilane 3-(Dimethoxymethylsilyl)-1-propanethiol 3-(Methyldimethoxysilyl)propylmercaptan 3-Mercaptopropylmethyldimethoxysilane 3-mercaptopropyl(dimethoxy)methylsilane 31001-77-1 S10426 gamma-mercaptopropyl methyl dimethoxy silane (CAS 31001-77-1)
- 2-(2-(Methoxymethyl)pyrrolidin-1-yl)acetic acid (CAS 1353975-15-1)
- 2-(2-Butyramido-4-phenylthiazol-5-yl)acetic acid (CAS 1181254-88-5)
- 4-(4-Ethylphenyl)-2-azetidinone (CAS 777884-26-1)
- Anorexigenic Peptide (CAS 69275-10-1)
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