2-(Allylthio)-5-chloropyrimidine CAS 79685-97-5
| CAS No. | 79685-97-5 |
| Molecular Formula | C7H7ClN2S |
| Molecular Weight | 186.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(Allylthio)-5-chloropyrimidine (CAS 79685-97-5) is a high-purity analytical reference standard with the molecular formula C7H7ClN2S and a molecular weight of 186.66 g/mol.
Based on its molecular formula C7H7ClN2S, 2-(Allylthio)-5-chloropyrimidine contains a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 186.66 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 | C7H7ClN2S |
| Molecular Weight | 186.66 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Allylthio Standards
- 6-(Allylthio)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 10237-48-6)
- 5-(Allylthio)pyrimidine-2,4(1H,3H)-dione (CAS 73236-43-8)
- 2-(Allylthio)-6-aminopyrimidin-4(3H)-one (CAS 57939-40-9)
- 3-(Allylthio)-6-methyl-1,2,4-triazin-5(2H)-one (CAS 87450-64-4)
- 2-(Allylthio)pyrimidine-4,6-diamine (CAS 461430-13-7)
- 2-(Allylthio)-5-methylpyrimidin-4(1H)-one (CAS 94731-76-7)
- 2-(Allylthio)-6-methylpyrimidin-4-ol (CAS 62459-06-7)
- 2-(Allylthio)benzo[d]oxazole (CAS 50463-17-7)
Recommended Standards
- 1-Chloro-6,7-dihydrobenzo[c]thiophen-4(5H)-one (CAS 34967-78-7)
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- 6-{[(4-methoxyphenyl)methyl]amino}-1,2,3,4-tetrahydroquinolin-2-one (CAS 1157411-52-3)
- 8-Methylquinoline-5-carbonitrile (CAS 74316-57-7)
- Ethyl 5-cyclopentyl-5-oxovalerate (CAS 24071-97-4)
- 3,4-Dichloro-2-ethylbenzophenone (CAS 951885-03-3)
- Brivaracetam Impurity 74 (CAS CATO-C4X-200774)
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