4-Chloro-2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidine CAS 339103-91-2
| CAS No. | 339103-91-2 |
| Molecular Formula | C17H13ClN2S |
| Molecular Weight | 312.82 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 4-Chloro-2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidine.
CATO supplies 4-Chloro-2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidine (CAS 339103-91-2), a certified reference material (molecular formula C17H13ClN2S, MW 312.82 g/mol) for analytical method development and quality control.
Structurally, 4-Chloro-2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidine (C17H13ClN2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 312.82 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C17H13ClN2S |
| Molecular Weight | 312.82 g/mol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 4-Chloro-6-[(4-methylphenyl)sulfanyl]-2-phenylpyrimidine (CAS 343373-70-6)
- 4-Chloro-6-[(4-methylphenyl)sulfanyl]-3-phenylpyridazine (CAS 477872-27-8)
- 3-Chloro-4-decyloxybenzoic acid (CAS 106316-08-9)
- 1-(5-Chloro-2,4-dimethoxyphenyl)-4,4-dimethyl-1,4-dihydropyrimidine-2-thiol (CAS 1142212-65-4)
- 1-((4-Chloro-2,5-dimethylphenyl)sulfonyl)-2-ethyl-4-methyl-1H-imidazole (CAS 898656-21-8)
- 7-Chloro-3-[3-(propan-2-yloxy)propyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 749920-45-4)
- (R)-1-(4-Chloro-6-methyl-pyrimidin-2-yl)-pyrrolidin-3-ol (CAS 1261233-21-9)
- [1-(5-Chloro-pyrimidin-2-yl)-piperidin-4-yl]-carbamic acid tert-butyl ester (CAS 1261236-04-7)
Recommended Standards
- 4-(4-Chlorophenyl)-2-[(4-methylphenyl)sulfanyl]pyrimidine (CAS 339105-97-4)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-phenylpyrimidine (CAS 344282-14-0)
- 2-(Benzylsulfanyl)-5-(4-chlorophenyl)pyrimidine (CAS 344281-67-0)
- Iridium(2+),pentaamminechloro-,(OC-6-22)- (CAS 29589-09-1)
- Phentolamine-d4 HCl (Regitine-d4 HCl) (CAS 1346599-65-2)
- 4-(3-Aminopropyl)-3-chloropyridin-2-amine (CAS 1393544-63-2)
- N-[9-[(2R,4R,5R)-4-fluoro-5-(hydroxymethyl)-3-oxo-tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide (CAS 2740545-09-7)
- 3-(4-Chlorobenzyl)-2-piperidone (CAS 1260763-19-6)
- 5-Methoxy-4-[(4-methoxyphenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine (CAS 321433-00-5)
- 2-(3-Bromo-4-methyl-5-(trifluoromethyl)phenyl)acetonitrile (CAS 2384884-96-0)
- 2-([1,1-Biphenyl]-4-yl)-2-oxoacetaldehyde hydrate (CAS 857368-92-4)
- Ethyl 1-azabicyclo[2.2.1]Heptane-4-carboxylate (CAS 119102-24-8)
- Atogepant Impurity 35 (CAS 1456803-47-6)
- Acetyl-Tau Peptide (244-274) (Repeat 1 Domain) trifluoroacetate salt (CAS 2022956-56-3)
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