1-(4-Chlorobenzoyl)-4-nitro-3-propyl-1H-pyrazole CAS 956782-06-2
| CAS No. | 956782-06-2 |
| Molecular Formula | C13H12ClN3O3 |
| Molecular Weight | 293.71 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-(4-Chlorobenzoyl)-4-nitro-3-propyl-1H-pyrazole.
1-(4-Chlorobenzoyl)-4-nitro-3-propyl-1H-pyrazole (CAS 956782-06-2), molecular formula C13H12ClN3O3 and molecular weight 293.71 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(4-Chlorobenzoyl)-4-nitro-3-propyl-1H-pyrazole (C13H12ClN3O3) 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 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 293.71 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1-(4-Chlorobenzoyl)-4-nitro-3-propyl-1H-pyrazole 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 | C13H12ClN3O3 |
| Molecular Weight | 293.71 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chlorobenzoyl Standards
- 1-(4-Chlorobenzoyl)-N3,N3,N5,N5-tetramethyl-1H-1,2,4-triazole-3,5-diamine (CAS 477873-11-3)
- N-[5-(4-Chlorobenzoyl)-1,3-thiazol-2-yl]-N,N-dimethyliminoformamide (CAS 569350-52-3)
- 1-(3-Chlorobenzoyl)azetidine-3-sulfonyl chloride (CAS 1461707-72-1)
- (S)-1-(4-Chlorobenzoyl)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide (CAS 85551-25-3)
- 1-(4-Chlorobenzoyl)-4-(2-hydroxyethyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866039-64-7)
- 1-(4-Chlorobenzoyl)-1,2-dihydroquinoline-2-carbonitrile (CAS 94540-23-5)
- (2-Chlorobenzoyl) 2-chlorobenzoate (CAS 49619-43-4)
- methyl 3-[(2-chlorobenzoyl)amino]-2-thiophenecarboxylate (CAS 478080-02-3)
Recommended Standards
- 1-(3-Chlorophenyl)-4-methoxy-N-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide (CAS 339030-52-3)
- 2-(2-(Chloromethyl)-6,7-dimethoxy-4-oxoquinazolin-3(4h)-yl)acetonitrile (CAS 743441-89-6)
- (5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonyl)glycine (CAS 956205-91-7)
- 2-Chloro-N-(4-methoxybenzyl)-3-nitropyridin-4-amine (CAS 881844-09-3)
- Dimethyl 1-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895645-33-7)
- N-(3-amino-5-fluorophenyl)-2,2,2-trifluoroacetamide (CAS 1694076-93-1)
- (2-Methylpropyl)(2-phenylpropyl)amine (CAS 932154-37-5)
- 4-Bromo-2-fluoro-5-iodopyridine (CAS 1807119-09-0)
- 4-(((1-Hydroxypropan-2-yl)amino)methyl)benzonitrile (CAS 1010393-11-9)
- 4-Cyclobutoxy-3-(difluoromethyl)aniline (CAS 1341556-46-4)
- Azelaic acid-D14 (CAS 119176-67-9)
- 6-Methyl-N1-[4-(3-pyridyl)-2-thiazolyl]-1,3-benzenediamine (CAS 660837-08-1)
- 1,3-Benzenedicarboxylic acid, polymer with 2,5-furandione, 1,2-propanediol and 1,2,3-propanetriol (CAS 65605-79-0)
- Semaglutide impurity 91 (CAS CATO-C4X-222691)
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