1-(2-Chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid CAS 618102-00-4
| CAS No. | 618102-00-4 |
| Molecular Formula | C16H11ClN2O2 |
| Molecular Weight | 298.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(2-Chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid.
1-(2-Chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid (CAS 618102-00-4) is a high-purity analytical reference standard with the molecular formula C16H11ClN2O2 and a molecular weight of 298.72 g/mol.
Structurally, 1-(2-Chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid (C16H11ClN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 298.72 g/mol, it falls into the medium-molecular-weight range. 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 | C16H11ClN2O2 |
| Molecular Weight | 298.72 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Chlorophenyl Standards
- 1-(2-Chlorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid (CAS 116572-69-1)
- 1-(2-Chlorophenyl)-5-phenyl-1h-pyrazole-4-carboxylic acid (CAS 1171970-88-9)
- 5-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid (CAS 167873-90-7)
- (1-(4-Chlorophenyl)-1H-pyrazol-4-yl)(2-hydroxyphenyl)methanone (CAS 61466-47-5)
- (2Z)-2-[(4-Chlorophenyl)imino]-2H-chromene-3-carboxamide (CAS 314048-22-1)
- (4Z)-4-{[(4-chlorophenyl)amino]methylidene}-3-phenyl-4,5-dihydro-1,2-oxazol-5-one (CAS 477851-18-6)
- (E)-3-(5-(4-chlorophenyl)furan-2-yl)-1-(furan-2-yl)prop-2-en-1-one (CAS 20005-35-0)
- (E)-4-(((3-Chlorophenyl)amino)methylene)-2-phenyloxazol-5(4H)-one (CAS 313971-65-2)
Recommended Standards
- 1-((2-Chloroallyl)oxy)anthracene-9,10-dione (CAS 80034-87-3)
- 1-(3-Chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid (CAS 618101-99-8)
- 1-(4-Chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid (CAS 618101-90-9)
- 1-(4-Chlorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid (CAS 62160-86-5)
- 3-{2-[(2-Fluorobenzoyl)amino]phenoxy}-2-thiophenecarboxylic acid (CAS 900019-03-6)
- 1-(2,4,6-Trifluorophenyl)propan-2-one (CAS 835878-82-5)
- 5-methoxy-1H-indazol-6-amine (CAS 1892854-32-8)
- 1-(5-Phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one (CAS 231947-22-1)
- 1-((3-(tert-Butyl)-4-methoxyphenyl)sulfonyl)azepane (CAS 898646-59-8)
- 3-(4-Bromophenyl)-5-(chloromethyl)-1,2,4-oxadiazole (CAS 110704-42-2)
- tert-Butyl 3-hydroxy-3-vinylpyrrolidine-1-carboxylate (CAS 1375303-06-2)
- (S)-3-Mercaptopyrrolidine-1-carboxamide (CAS 129243-48-7)
- 5-Pyridin-4-yl-1,3,4-oxadiazol-2-amine (CAS 704-56-3)
- Semaglutide impurity 43 (CAS CATO-C4X-222643)
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