3-((4-Fluorophenyl)thio)pyrrolidine CAS 1249786-35-3
| CAS No. | 1249786-35-3 |
| Molecular Formula | C10H12FNS |
| Molecular Weight | 197.27 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.
3-((4-Fluorophenyl)thio)pyrrolidine (CAS 1249786-35-3) is a high-purity analytical reference standard with the molecular formula C10H12FNS and a molecular weight of 197.27 g/mol.
Based on its molecular formula C10H12FNS, 3-((4-Fluorophenyl)thio)pyrrolidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 197.27 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C10H12FNS |
| Molecular Weight | 197.27 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Fluorophenyl Standards
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- n-(2-Fluorophenyl)tetrahydrothiophen-3-amine (CAS 1019533-54-0)
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- 3-(((4-Fluorophenyl)thio)methyl)azetidine (CAS 1706448-02-3)
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Recommended Standards
- 1-(Pyrrolidin-1-ylmethyl)cyclopentane-1-carboxylic acid (CAS 1249050-63-2)
- Cyclopentyl(3-(hydroxymethyl)pyrrolidin-1-yl)methanone (CAS 1250802-58-4)
- 3-methyl-1-[(oxolan-2-yl)methyl]piperidin-4-one (CAS 1248126-60-4)
- 2-((Furan-2-ylmethyl)amino)-4-methylpentan-1-ol (CAS 1250889-77-0)
- 4-Amino-2-chloro-3-methylbenzonitrile (CAS 573768-09-9)
- 1-(4-chlorophenyl)-3-(furan-2-yl)-1H-pyrazol-5-amine (CAS 1154567-07-3)
- 4-Hydroxybutan-2-yl 1H-pyrazole-4-carboxylate (CAS 782501-73-9)
- 2-hydroxy-N-methyl-2-phenyl-N-[2-(1-pyrrolidinyl)ethyl]-2-thiophen-2-ylacetamide hydrochloride 29110-74-5 A819767 N-methyl-2-oxidanyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-yl-ethanamide hydrochloride (CAS 29110-74-5)
- 1-(Nitro(phenylsulfonyl)methyl)-N-(3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide (CAS 303151-80-6)
- 1,1',1''-((2,4,6-Triethylbenzene-1,3,5-triyl)tris(methylene))tris(1H-imidazole) (CAS 954111-58-1)
- 4-Cyano-3-fluorobenzyl chloride (CAS 1260814-48-9)
- (2S,4R)-1-tert-butyl 2-methyl 4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate (CAS 1206524-79-9)
- 2-((2,6-Dichlorobenzyl)thio)-5-(pyrazin-2-yl)-1,3,4-thiadiazole (CAS 448947-81-7)
- Tirzepatide Impurity 37 (CAS CATO-C4X-324037)
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