2-((4-Chlorobenzyl)thio)-4-(trifluoromethyl)pyrimidine-5-carbonitrile CAS 339096-97-8
| CAS No. | 339096-97-8 |
| Molecular Formula | C13H7ClF3N3S |
| Molecular Weight | 329.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 329.73 g/mol gives 2-((4-Chlorobenzyl)thio)-4-(trifluoromethyl)pyrimidine-5-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-((4-Chlorobenzyl)thio)-4-(trifluoromethyl)pyrimidine-5-carbonitrile (CAS 339096-97-8), a certified reference material (molecular formula C13H7ClF3N3S, MW 329.73 g/mol) for analytical method development and quality control.
2-((4-Chlorobenzyl)thio)-4-(trifluoromethyl)pyrimidine-5-carbonitrile (C13H7ClF3N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C13H7ClF3N3S |
| Molecular Weight | 329.73 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- Methyl 1-(2-chlorobenzyl)-3,6-dimethyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS 1011359-95-7)
- Methyl 1-(4-chlorobenzyl)-3,6-dimethyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS 1011370-91-4)
- 1-(4-Chlorobenzyl)-3,6-dimethyl-1h-pyrazolo[3,4-b]pyridine-4-carbohydrazide (CAS 938006-72-5)
- 2-(4-Chlorobenzyl)-4-(3-methoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-23-8)
- N-(2-Chlorobenzyl)-6,7-dimethoxy-4-quinazolinamine (CAS 477860-01-8)
- N-(3-chlorobenzyl)-6,7-dimethoxyquinazolin-4-amine (CAS 477859-86-2)
- N-(4-chlorobenzyl)-6,7-dimethoxyquinazolin-4-amine (CAS 477855-22-4)
- N-(4-chlorobenzyl)-6-methoxy-2H-chromene-3-carboxamide (CAS 338760-76-2)
Recommended Standards
- 2-((3-(4-Chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)acetamide (CAS 714206-48-1)
- 2-Chloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid (CAS 554405-07-1)
- 1-(6-Chloroimidazo[2,1-b]thiazol-5-yl)-N-(3-(trifluoromethyl)phenyl)methanimine (CAS 241132-43-4)
- 2-Chloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid (CAS 313225-61-5)
- 2-Bromo-4-(trifluoromethyl)-1-vinylbenzene (CAS 402-09-5)
- Triamterene RC 1 (CAS 16470-02-3)
- 7-Chloro-N-(3-chlorobenzyl)quinazolin-4-amine (CAS 477861-81-7)
- Cobalt Tetra-4-tert-butylphthalocyanine (CAS 70619-85-1)
- 3-Amino-3-(2-ethylphenyl)propan-1-ol (CAS 1250877-62-3)
- 3-Phenyl-2-(2-thienylcarbonyl)indeno[1,2-c]pyrazol-4(2H)-one (CAS 1020251-78-8)
- 3,6-Bis(5-bromo-2-pyridinyl)-2,5-dihydro-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4-dione (CAS 1455028-34-8)
- 5-Chloro-4-fluoro-2-(trifluoromethyl)benzoic acid (CAS 1805222-16-5)
- n-((1,2,3-Thiadiazol-4-yl)methyl)-1-methoxypropan-2-amine (CAS 1156897-09-4)
- Tau Peptide (307-321) trifluoroacetate salt (CAS 330456-50-3)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com