1-(Benzo[d][1,3]dioxol-5-yl)-2-((4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)ethan-1-one CAS 940984-29-2
| CAS No. | 940984-29-2 |
| Molecular Formula | C15H11F3N2O3S |
| Molecular Weight | 356.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(Benzo[d][1,3]dioxol-5-yl)-2-((4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)ethan-1-one (CAS 940984-29-2) is a high-purity analytical reference standard with the molecular formula C15H11F3N2O3S and a molecular weight of 356.32 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 1-(Benzo[d][1,3]dioxol-5-yl)-2-((4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)ethan-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 356.32 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), 1-(Benzo[d][1,3]dioxol-5-yl)-2-((4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)ethan-1-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 | C15H11F3N2O3S |
| Molecular Weight | 356.32 g/mol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Benzo Standards
- N-(Benzo[d][1,3]dioxol-5-yl)-2-((6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)oxy)acetamide (CAS 1030097-27-8)
- 1-(Benzo[d][1,3]dioxol-5-yl)-3-(4-(4-fluorophenyl)piperazin-1-yl)propan-1-one (CAS 344569-55-7)
- 4-((3-(Benzo[d][1,3]dioxol-5-yloxy)propyl)sulfonyl)piperazine-1-carbaldehyde (CAS 946286-38-0)
- Ethyl 4-(2-(benzo[d]oxazol-2-ylthio)acetamido)benzoate (CAS 58915-09-6)
- 4-(1H-Benzo[d]imidazol-2-yl)-1-(2-bromophenyl)pyrrolidin-2-one (CAS 862828-31-7)
- 1-((1-(Benzo[d]oxazol-2-yl)piperidin-4-yl)methyl)-3-(thiophen-2-yl)urea (CAS 1797285-75-6)
- 4-((4-(1H-Benzo[d]imidazol-2-yl)piperidin-1-yl)sulfonyl)aniline (CAS 951921-21-4)
- 5,5'-(Benzo[c][1,2,5]thiadiazole-4,7-diyl)bis(thiophene-2-carbaldehyde) (CAS 882303-63-1)
Recommended Standards
- (4-(2-Fluorophenyl)piperazin-1-yl)(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanone (CAS 477709-05-0)
- 2-((2-Oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)nicotinic acid (CAS 422539-20-6)
- (2S,3R,4S,5S,6R)-2-(((2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (CAS 7216-73-1)
- 2-(2,6-Difluorophenyl)-1-[(2,6-Difluorophenyl)Methyl]Benzimidazole (CAS 199594-59-7)
- (2-Bromo-4-((ethylsulfonyl)methyl)phenyl)(4-fluorophenyl)methanone (CAS 2226649-82-5)
- 1-(2-Cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl)-1,4-diazepane (CAS 1708080-43-6)
- Rizatriptan Dimer Impurity 3 (CAS 1016900-25-6)
- (S)-9a-(3-bromophenyl)-8-phenyl-9,9a-dihydropyrido[1,2-a]indole-6,10-dione (CAS 2368852-15-5)
- Tolvaptan Impurity 17 (CAS 1975-51-5)
- 6-(Cyclopropylamino)-5-methylnicotinic acid (CAS 1355220-04-0)
- tert-Butyl hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate (CAS 132414-81-4)
- N,2-dimethyl-3-(trifluoromethyl)aniline (CAS 1263378-84-2)
- (S)-2-Amino-1-((R)-3-((cyclopropylmethyl)amino)piperidin-1-yl)-3-methylbutan-1-one (CAS 1401666-98-5)
- Insulin Degludec Impurity 26 (CAS CATO-C4X-215726)
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