1-(4-Chloro-3-nitrophenyl)-3-(ethoxycarbonyl)-4,5-dihydro-1h-pyrazole-5-carboxylic acid CAS 1264040-52-9
| CAS No. | 1264040-52-9 |
| Molecular Formula | C13H12ClN3O6 |
| Molecular Weight | 341.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 341.70 g/mol gives 1-(4-Chloro-3-nitrophenyl)-3-(ethoxycarbonyl)-4,5-dihydro-1h-pyrazole-5-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-(4-Chloro-3-nitrophenyl)-3-(ethoxycarbonyl)-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264040-52-9), molecular formula C13H12ClN3O6 and molecular weight 341.70 g/mol, is a CATO reference standard with documented purity and traceability.
1-(4-Chloro-3-nitrophenyl)-3-(ethoxycarbonyl)-4,5-dihydro-1h-pyrazole-5-carboxylic acid (C13H12ClN3O6) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
As a certified reference material (CRM), 1-(4-Chloro-3-nitrophenyl)-3-(ethoxycarbonyl)-4,5-dihydro-1h-pyrazole-5-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 | C13H12ClN3O6 |
| Molecular Weight | 341.70 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 |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 1-(2-Chloro-5-nitrophenyl)-3-(ethoxycarbonyl)-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264044-32-7)
- 1-(2-Chloro-4-nitrophenyl)-3-(ethoxycarbonyl)-4,5-dihydro-1h-pyrazole-5-carboxylic acid (CAS 1264047-28-0)
- 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-3-ethylbenzo[d]isoxazole (CAS 114195-16-3)
- 3-Chloro-5-(2-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 678560-80-0)
- 3-Chloro-5-(3-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 740837-57-4)
- 3-Chloro-5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 677345-89-0)
- 3-(4-(4-Chloro-2-(trifluoromethyl)phenyl)pyridin-2-yl)-1,2,4-oxadiazol-5(4H)-one (CAS 1219454-01-9)
- methyl 5-chloro-2-methoxy-4-{[(2,2,2-trifluoroethoxy)carbonyl]amino}benzoate (CAS 1223395-43-4)
Recommended Standards
- 8-Chloro-2-(3-nitrophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CAS 860651-00-9)
- 5-(4-Methoxy-phenylamino)-[1,3,4]thiadiazole-2-thiol (CAS 37844-24-9)
- 3-Chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS 299405-80-4)
- 3-Chloro-2-[2-(1,3,4-oxadiazol-2-yl)phenoxy]-5-(trifluoromethyl)pyridine (CAS 303148-24-5)
- 2-(1-Benzothiophen-2-yl)pyridine-3-carbonitrile (CAS 1365271-71-1)
- 2-Ethyl-6-fluoro-3-methylquinoline-4-carboxylic acid (CAS 436096-49-0)
- 4-Fluoro-5-methylnicotinic acid (CAS 1211529-58-6)
- 6-Amino-8-thioxo-3,7,8,9-tetrahydro-2H-purin-2-one (CAS 57071-62-2)
- 2-(Methylsulfanyl)-3-(pyridin-2-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one (CAS 338780-21-5)
- 4-(3-aminophenyl)-1,2,4-triazolidine-3,5-dione hydrochloride (CAS 1803591-94-7)
- n-(3-Fluoro-2-methylphenyl)tetrahydrothiophen-3-amine (CAS 1250091-45-2)
- 1-Monolinolenin (CAS 75685-85-7)
- 5-Methoxy-3-Pyridazinecarboxylic acid ethyl ester (CAS 627525-71-7)
- KALA Amphipathic Peptide (CAS 187987-64-0)
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