2-{[(4-chlorophenyl)methyl]sulfanyl}-1-[4-(trifluoromethyl)benzoyl]-1,4,5,6-tetrahydropyrimidine CAS 866153-37-9
| CAS No. | 866153-37-9 |
| Molecular Formula | C19H16ClF3N2OS |
| Molecular Weight | 412.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-{[(4-chlorophenyl)methyl]sulfanyl}-1-[4-(trifluoromethyl)benzoyl]-1,4,5,6-tetrahydropyrimidine (C19H16ClF3N2OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 412.86 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
2-{[(4-chlorophenyl)methyl]sulfanyl}-1-[4-(trifluoromethyl)benzoyl]-1,4,5,6-tetrahydropyrimidine (CAS 866153-37-9), molecular formula C19H16ClF3N2OS and molecular weight 412.86 g/mol, is a CATO reference standard with documented purity and traceability.
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), 2-{[(4-chlorophenyl)methyl]sulfanyl}-1-[4-(trifluoromethyl)benzoyl]-1,4,5,6-tetrahydropyrimidine 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 | C19H16ClF3N2OS |
| Molecular Weight | 412.86 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- (3,4-Bis((trimethylsilyl)ethynyl)hexa-3-en-1,5-diyne-1,6-diyl)bis(trimethylsilane) (CAS 55660-76-9)
- 3-Chloro-2-(4-(3-(thiophen-2-yl)-1H-pyrazol-5-yl)piperidin-1-yl)-5-(trifluoromethyl)pyridine (CAS 477762-67-7)
- Avanafil Impurity 136 (CAS CATO-C4X-1118136)
- Cefdinir Impurity 86 (CAS 1884263-19-7)
- N-(3,5-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide (CAS 247592-84-3)
- 2-(o-tolylsulfonyl)acetonitrile (CAS 243661-09-8)
- 2-[(4-Chlorobenzoyl)amino]-2-methylpropanoic acid (CAS 129973-02-0)
- (S)-2,4-Dichloro-7-methyl-5,7-dihydrofuro[3,4-d]pyrimidine (CAS 2730031-52-2)
- 3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (4-(dimethylamino)furan-2-yl)boronate (CAS 2223043-47-6)
- 5-Bromo-3-isopentyl-2-methyl-3H-imidazo[4,5-b]pyridine (CAS 1263281-65-7)
- 1-(4-Bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)methanamine (CAS 1040046-54-5)
- Ledipasvir Impurity 46 (CAS CATO-C4X-331346)
- 4-(4-(2-Chlorophenyl)-2-vinyloxazol-5-yl)-N,N-diethylaniline (CAS 22159-33-7)
- (Thr(PO3H2)231)-Tau Peptide (225-237) trifluoroacetate salt (CAS 1670270-09-3)
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