2-[(3,5-difluorobenzyl)thio]aniline CAS 259132-34-8
| CAS No. | 259132-34-8 |
| Molecular Formula | C13H11F2NS |
| Molecular Weight | 251.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-[(3,5-difluorobenzyl)thio]aniline (CAS 259132-34-8), molecular formula C13H11F2NS and molecular weight 251.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-[(3,5-difluorobenzyl)thio]aniline (C13H11F2NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 251.29 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 2-[(3,5-difluorobenzyl)thio]aniline 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 | C13H11F2NS |
| Molecular Weight | 251.29 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related difluorobenzyl Standards
- N-(3,5-difluorobenzyl)-1-(1,3-dimethyl-1H-pyrazol-4-yl)methanamine (CAS 1006436-76-5)
- n-(2,5-Difluorobenzyl)-1-(1,3-dimethyl-1h-pyrazol-4-yl)methanamine (CAS 1006449-75-7)
- n-(3,5-Difluorobenzyl)-1-(1,5-dimethyl-1h-pyrazol-4-yl)methanamine (CAS 1006473-57-9)
- N-(2,5-difluorobenzyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amine (CAS 1006957-24-9)
- 1-(2,6-Difluorobenzyl)-6-methylpyrimidine-2,4(1H,3H)-dione (CAS 352303-65-2)
- N-(2,5-difluorobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide (CAS 866149-89-5)
- 1-(2,6-Difluorobenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 106308-50-3)
- 2-[(3,5-difluorobenzyl)thio]pyridinium-1-olate (CAS 259132-17-7)
Recommended Standards
- 2-(4,6-Dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetonitrile (CAS 478047-23-3)
- 3-Hydrazinyl-4,5-diphenyl-4h-1,2,4-triazole (CAS 374088-47-8)
- 10-TRIFLUOROACETAMIDODEC-1-ENE (CAS 85657-91-6)
- 4-(2-Benzyl-2H-tetrazol-5-yl)aniline (CAS 210467-75-7)
- ML355 (CAS 1532593-30-8)
- n-(Cyclopropylmethyl)-1-(3,4-dimethylphenyl)ethan-1-amine (CAS 1019626-84-6)
- Methyl 2-chloro-4-methylbenzo[d]thiazole-6-carboxylate (CAS 1190320-44-5)
- (S)-2-(4-Fluorophenyl)-2-hydroxyacetic acid (CAS 52923-25-8)
- 8-Phenyl-1,4-dioxaspiro[4.5]decane (CAS 25163-93-3)
- Bedaquiline impurity 69 (CAS CATO-C4X-116769)
- 4-Methyl-1,4-dihydrobis([1,2,5]oxadiazolo)[3,4-b:3',4'-e]pyrazine (CAS 212391-77-0)
- Ethyl 2-amino-6-chloro-3-fluorobenzoate (CAS 1184810-34-1)
- 4-Chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine (CAS 1338681-94-9)
- PACAP-Related Peptide (PRP), rat (CAS 132769-35-8)
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