4-(Bromomethyl)-1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole CAS 912569-72-3
| CAS No. | 912569-72-3 |
| Molecular Formula | C12H10BrF3N2O |
| Molecular Weight | 335.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(Bromomethyl)-1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(Bromomethyl)-1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole (CAS 912569-72-3), molecular formula C12H10BrF3N2O and molecular weight 335.12 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-(Bromomethyl)-1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole (C12H10BrF3N2O) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
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 | C12H10BrF3N2O |
| Molecular Weight | 335.12 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromomethyl Standards
- 1,2-Bis(bromomethyl)tetrafluorobenzene (CAS 13719-82-9)
- 2-(4-(Bromomethyl)phenyl)-6-methoxybenzo[d]thiazole (CAS 101078-75-5)
- 1-((4-(Bromomethyl)phenyl)sulfonyl)piperidin-4-ol (CAS 1417793-62-4)
- 2-(Bromomethyl)-4-tosylmorpholine (CAS 1541487-32-4)
- 4-(Bromomethyl)-N-(4-hydroxy-3,5-dimethylphenyl)benzamide (CAS 89519-13-1)
- 5-(Bromomethyl)-4-methyl-2-(4-(trifluoromethyl)-phenyl)thiazole (CAS 439134-78-8)
- 166888-26-2 2-(Bromomethyl)-5-(phthalimidomethyl)thiophene 2-[[5-(Bromomethyl)-2-thienyl]methyl]-1H-isoindole-1,3(2H)-dione (CAS 166888-26-2)
- 4-(Bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)picolinaldehyde (CAS 1804673-85-5)
Recommended Standards
- (S)-2-bromo-6-(4-(4,4,4-trifluorobutan-2-yl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 2420455-19-0)
- 5-Iodoquinoline-8-sulfonic acid (CAS 803634-97-1)
- (2-Bromo-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl)methanol (CAS 122670-61-5)
- 7-Iodoquinoline-8-sulfonic acid (CAS 32435-64-6)
- 3,5-Dimethyl-N-[2-(2-methylphenoxy)ethyl]aniline (CAS 1040686-64-3)
- 2-(1-(Tert-butoxycarbonyl)-4-phenylpiperidin-4-yl)acetic acid (CAS 644982-20-7)
- 5-Hydroxybenzo[d][1,3]oxathiol-2-one (CAS 7735-56-0)
- 2-Allyltetrahydrofuran-2-carboxylic acid (CAS 267425-71-8)
- 8-Chloro-2-pyridin-4-ylquinoline-4-carbonyl-chloride hydrochloride (CAS 1332531-18-6)
- (2E)-1-(4-Bromophenyl)-3-(4-ethoxyphenyl)prop-2-en-1-one (CAS 1206687-37-7)
- N-(5-Bromo-6-methyl-3-pyridyl)-3-(trifluoromethyl)benzamide (CAS 1628839-35-9)
- 3-Bromo-4-fluorobenzimidamide hydrochloride (CAS 929884-81-1)
- 2,2,2-Trifluoro-1-(4-(4-methylpiperazine-1-carbonyl)phenyl)ethan-1-one (CAS 478066-72-7)
- Exenatide (CAS 141758-74-9)
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