1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea CAS 685113-18-2
| CAS No. | 685113-18-2 |
| Molecular Formula | C14H13ClFN3S |
| Molecular Weight | 309.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea (CAS 685113-18-2), a certified reference material (molecular formula C14H13ClFN3S, MW 309.79 g/mol) for analytical method development and quality control.
The molecular framework of 1-(3-Chloro-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethyl)thiourea (C14H13ClFN3S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C14H13ClFN3S |
| Molecular Weight | 309.79 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.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 1-[(5-Chloro-2-thienyl)sulfonyl]piperidine-2-carboxylic acid (CAS 1008038-62-7)
- (E)-[(5-Chloro-2-phenyl-1H-imidazol-4-yl)methylidene][(4-methylphenyl)methyl]amine (CAS 338392-61-3)
- 1-[(5-Chloro-2-thienyl)sulfonyl]piperidine-3-carboxylic acid (CAS 384847-77-2)
- 2-Chloro-n-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl}acetamide (CAS 897313-58-5)
- 4-Chloro-N-(1-(N-hydroxycarbamimidoyl)cycloheptyl)benzamide (CAS 912763-54-3)
- 4-Chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzenesulfonamide (CAS 307514-10-9)
- 6-Chloro-4-phenyl-2-(pyrrolidin-1-yl)quinazoline (CAS 332867-60-4)
- N-(3-chloro-4-fluorophenyl)-2-(m-tolylthio)acetamide (CAS 882079-92-7)
Recommended Standards
- 1-((5-Chlorothiophen-2-yl)sulfonyl)piperidine-4-carboxylic acid (CAS 384847-76-1)
- 1-Boc-3-(3'-chlorophenyl)-piperidin-4-one (CAS 869720-07-0)
- tert-Butyl 2-(4-chlorophenyl)-4-oxopiperidine-1-carboxylate (CAS 1822819-41-9)
- 1-Boc-5-(3-chlorophenyl)piperidin-2-one (CAS 2006277-50-3)
- 1-(4-Methylpyridin-2-yl)acetone (CAS 42508-80-5)
- N-(4-Methoxybenzyl)-1-(pyridin-2-yl)methanamine hydrobromide (CAS 1609400-07-8)
- 5-(2-Methoxyphenyl)-6-methylthiazolo[3,2-b][1,2,4]triazole (CAS 1621514-79-1)
- N,N-Dimethyl-4-piperidin-4-yloxyaniline (CAS 138226-51-4)
- Calcium D-gluconate lactobionate (CAS 97635-31-9)
- 3-Chloro-1H-pyrrolo[3,2-b]pyridin-5-amine (CAS 1190319-36-8)
- Methyl-(6-trifluoromethylpyridin-3-yl)-amine (CAS 1428241-50-2)
- 2-(Dimethylamino)pyrimidin-5-ol (CAS 72491-71-5)
- Benzyl 3-(2-chloro-N-isopropylacetamido)pyrrolidine-1-carboxylate (CAS 1353954-45-6)
- Galanin-Like Peptide (porcine) trifluoroacetate salt (CAS 245114-96-9)
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