5-Methyl-4-(prop-2-yn-1-yl)-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one CAS 400083-44-5
| CAS No. | 400083-44-5 |
| Molecular Formula | C13H9Cl3N2O |
| Molecular Weight | 315.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 315.58 g/mol gives 5-Methyl-4-(prop-2-yn-1-yl)-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 5-Methyl-4-(prop-2-yn-1-yl)-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 400083-44-5), a certified reference material (molecular formula C13H9Cl3N2O, MW 315.58 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 5-Methyl-4-(prop-2-yn-1-yl)-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 315.58 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 5-Methyl-4-(prop-2-yn-1-yl)-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one 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 | C13H9Cl3N2O |
| Molecular Weight | 315.58 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- Prop-2-yn-1-yl 3-chloro-4-((4-methylbenzyl)oxy)benzoate (CAS 1706428-83-2)
- Prop-2-yn-1-yl 4-((3-fluorobenzyl)oxy)-3-methoxybenzoate (CAS 1706453-02-2)
- Prop-2-yn-1-yl 4-((2-fluorobenzyl)oxy)-3-methoxybenzoate (CAS 1706453-06-6)
- Prop-2-yn-1-yl 4-((4-fluorobenzyl)oxy)-3-methoxybenzoate (CAS 1706457-27-3)
- 3-[phenyl(prop-2-en-1-yl)sulfamoyl]benzoic acid (CAS 750613-84-4)
- 5-phenyl-3-(prop-2-en-1-yl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 301233-60-3)
- Prop-2-yn-1-yl 3-chloro-4-((2-fluorobenzyl)oxy)benzoate (CAS 1706438-10-9)
- Prop-2-yn-1-yl 3-chloro-4-((4-fluorobenzyl)oxy)benzoate (CAS 1706457-63-7)
Recommended Standards
- 5-Chloro-2-((2,6-dichlorobenzyl)oxy)benzaldehyde (CAS 590376-27-5)
- N-(3-Amino-4-chlorophenyl)-2,4-dichlorobenzamide (CAS 926242-00-4)
- 3-Chloro-4-[(3,4-dichlorobenzyl)oxy]benzaldehyde (CAS 443126-28-1)
- N-(3-Amino-4-chlorophenyl)-3,5-dichlorobenzamide (CAS 926238-20-2)
- (S)-3-(Cbz-amino)-2-oxoazepane (CAS 103478-12-2)
- 2,5-Diisopentylfuran (CAS 72636-57-8)
- (E)-3-(4-oxo-4H-chromen-3-yl)acrylic acid (CAS 42059-58-5)
- Ethyl 4-(Benzo[d][1,3]dioxol-5-yl)-2,4-dioxobutanoate (CAS 62849-03-0)
- 1-(7-(3-Bromophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethan-1-one (CAS 361171-63-3)
- 2-amino-1-(2,6-difluorophenyl)butan-1-ol hydrochloride (CAS 1354950-99-4)
- 2,5-Dichloro-6-iodopyridin-3-ol (CAS 1261365-62-1)
- Piperidine-1-carboximidamide hemisulfate (CAS 17238-53-8)
- 2-Isopropoxy-1-methyl-3-nitrobenzene (CAS 1208077-37-5)
- Peptide Impurity 70 TFA Salt (CAS CATO-CPTD788570)
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