5-Chloro-3-(trifluoromethyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid CAS 1152979-31-1
| CAS No. | 1152979-31-1 |
| Molecular Formula | C11H5ClF4N2O2 |
| Molecular Weight | 308.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Chloro-3-(trifluoromethyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-Chloro-3-(trifluoromethyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid (CAS 1152979-31-1), molecular formula C11H5ClF4N2O2 and molecular weight 308.62 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-Chloro-3-(trifluoromethyl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid (C11H5ClF4N2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C11H5ClF4N2O2 |
| Molecular Weight | 308.62 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/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- 3-(4-Chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione (CAS 114136-63-9)
- 2-(3-Chloro-5-(cyclopropylmethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1218789-44-6)
- 2-(3-Chloro-4-(cyclopropylmethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1860005-05-5)
- 2-(2-Chloro-3-cyclopropyl-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2223043-09-0)
- 2-(2-Chloro-5-cyclopropyl-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2223047-61-6)
- 2-(4-Chloro-2-cyclopropyl-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2223048-55-1)
- 2-Chloro-5-{[(2,4-dichlorophenyl)methoxy]methyl}-1,3-thiazole (CAS 341967-69-9)
- 2-Chloro-n-[2-(2,4-dichlorophenyl)pentyl]acetamide (CAS 733796-09-3)
Recommended Standards
- n-[(5-bromothiophen-2-yl)methyl]-2-chloro-n-(prop-2-en-1-yl)acetamide (CAS 923223-48-7)
- 5-Chloro-2-(pyrrolidin-1-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 2096994-83-9)
- 2-(2-Chlorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene (CAS 2244086-85-7)
- 3,3'-(1,4-Phenylenebis(dimethylsilanediyl))bis(propan-1-amine) (CAS 20152-18-5)
- N-hydroxy-2-nitrobenzenesulfonamide (CAS 217463-52-0)
- [3-(aminomethyl)-4-benzylmorpholin-3-yl]methanol (CAS 1989671-98-8)
- 4-[(2-phenylethyl)amino]butanoic acid hydrochloride (CAS 57054-99-6)
- Methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(3-(trifluoromethyl)phenyl)-4H-pyran-3-carboxylate (CAS 865660-06-6)
- 7-(Tert-butyl) 2-ethyl (1R,2S,4S)-7-azabicyclo[2.2.1]Heptane-2,7-dicarboxylate (CAS 1260981-47-2)
- 2-(5-(Bis(4-chlorobenzyl)amino)-2H-tetrazol-2-yl)acetamide (CAS 338777-87-0)
- tert-butyl N-[5-chloro-2-(oxolane-2-carbonyl)phenyl]carbamate (CAS 1955530-98-9)
- 5-Ethoxy-2,3-difluoro-4-methylbenzaldehyde (CAS 1706446-37-8)
- Benzyl (((1S,2S,4R)-4-carbamoyl-2-hydroxycyclopentyl)methyl)carbamate (CAS 2227198-57-2)
- TRAF6 Control Peptide trifluoroacetate salt (CAS 852690-80-3)
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