1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-3-(4-chlorophenyl)thiourea CAS 326815-11-6
| CAS No. | 326815-11-6 |
| Molecular Formula | C14H10Cl2F3N3S |
| Molecular Weight | 380.22 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 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-3-(4-chlorophenyl)thiourea.
1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-3-(4-chlorophenyl)thiourea (CAS 326815-11-6), molecular formula C14H10Cl2F3N3S and molecular weight 380.22 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H10Cl2F3N3S, 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-3-(4-chlorophenyl)thiourea contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 380.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C14H10Cl2F3N3S |
| Molecular Weight | 380.22 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) | 9.0 |
| 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 Chloro Standards
- 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-3-(2-chlorophenyl)thiourea (CAS 326815-10-5)
- 5-(3-Chloro-4-((4-chlorobenzyl)oxy)-5-ethoxyphenyl)-1,3,4-oxadiazol-2-amine (CAS 1706448-93-2)
- N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]acetamide (CAS 285980-85-0)
- N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]acetamide (CAS 306732-48-9)
- 4-Chloro-6-(((4-chlorophenyl)sulfonyl)methyl)-2-(pyridin-2-yl)pyrimidine (CAS 400078-41-3)
- 2-Chloro-3-((2-chloro-4-nitrophenoxy)methyl)benzene-1-sulfonyl fluoride (CAS 30885-49-5)
- 2-Chloro-4-((2-chloro-4-nitrophenoxy)methyl)benzene-1-sulfonyl fluoride (CAS 30936-58-4)
- 2-Chloro-5-((2-chloro-4-nitrophenoxy)methyl)benzene-1-sulfonyl fluoride (CAS 30885-47-3)
Recommended Standards
- 2-(5-Bromo-2-methoxybenzylidene)-6-methyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CAS 606955-72-0)
- (E)-1-(6,7-Dichloro-2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methoxyanilino)-2-propen-1-one (CAS 860789-54-4)
- 2-Iodo-1-phenylphenanthrene (CAS 41790-93-6)
- N-(3-Bromo-5-cyanobenzenesulfonyl)-6-methylpyridine-2-carboxamide (CAS 1808442-59-2)
- Z-Ser(tBu)-OtBu (CAS 58455-98-4)
- 1-(4-Chloro-2-fluorophenyl)-3-(2,3-dimethylphenyl)propan-1-one (CAS 898793-21-0)
- 3-(tert-Butyl)-3-hydroxy-2-methyl-5-phenylisoindolin-1-one (CAS 39563-83-2)
- 4-(4-chlorophenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 81187-93-1)
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- 2-(3-Pyrrolidin-2-yl-isoxazol-5-yl)-ethanol (CAS 1361114-48-8)
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