1-(3-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid CAS 1156995-17-3
| CAS No. | 1156995-17-3 |
| Molecular Formula | C11H6BrF3N2O2 |
| Molecular Weight | 335.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(3-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 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.
1-(3-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 1156995-17-3) is a high-purity analytical reference standard with the molecular formula C11H6BrF3N2O2 and a molecular weight of 335.08 g/mol.
The molecular framework of 1-(3-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (C11H6BrF3N2O2) 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 1-(3-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H6BrF3N2O2 |
| Molecular Weight | 335.08 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, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromophenyl Standards
- 1-(4-Bromophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 618070-63-6)
- 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid (CAS 229957-02-2)
- (Z)-[(2-Bromophenyl)methyl][(4-nitrophenyl)methylidene]oxidoazanium (CAS 939893-38-6)
- 2-(4-Bromophenyl)-1,10-phenanthroline (CAS 149054-39-7)
- Ethyl 1-(3-bromophenyl)-5-cyclopropyl-1H-pyrazole-4-carboxylate (CAS 1491754-63-2)
- 1-[(4-bromophenyl)methyl]-1-methoxy-3-phenyl-urea 1-[(4-bromophenyl)methyl]-1-methoxy-3-phenylurea 149281-92-5 A808871 (CAS 149281-92-5)
- 1-[(2-bromophenyl)methyl]-1-methoxy-3-phenyl-urea 1-[(2-bromophenyl)methyl]-1-methoxy-3-phenylurea 149281-96-9 A808872 (CAS 149281-96-9)
- (1-(4-Bromophenyl)-1H-pyrrol-2-yl)(morpholino)methanone (CAS 383146-96-1)
Recommended Standards
- 5-Bromo-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxylic acid (CAS 1399658-04-8)
- Methyl (3-iodo-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)carbamate (CAS 2679840-45-8)
- 2-(5-Fluoro-2-nitro-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2377610-83-6)
- 4-Bromo-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid (CAS 497833-12-2)
- 2-(2-(1,5-Dimethyl-1h-pyrrol-2-yl)-4-methylthiazol-5-yl)-2-oxoacetic acid (CAS 938022-11-8)
- N-(2-Cyclohexyl-2-hydroxyethyl)thiophene-2-carboxamide (CAS 1351620-70-6)
- Tert-butyl (R)-8-(1-hydroxyethyl)-3,4-dihydroquinoline-1(2H)-carboxylate (CAS 2387568-92-3)
- (S)-3-(2,3-Difluorobenzyl)piperazin-2-one (CAS 1240585-78-7)
- Tert-butyl 2-cyano-6-azaspiro[3.4]Octane-6-carboxylate (CAS 1374658-99-7)
- (7R,8aS)-Octahydropyrrolo[1,2-a]pyrazin-7-ol oxalate (CAS 2101775-04-4)
- 3-(4-Amino-3-methoxyphenyl)oxazolidin-2-one (CAS 1170028-58-6)
- (4R,5S)-5-Methyl-2-oxooxazolidine-4-carboxylic acid (CAS 122871-70-9)
- trans-2-(difluoromethyl)cyclopropan-1-amine (CAS 1808068-50-9)
- Peptide Impurity 06 (CAS CATO-CPTD788806)
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