2-((4-Chloro-6-methylpyrimidin-2-yl)thio)acetonitrile CAS 56605-40-4
| CAS No. | 56605-40-4 |
| Molecular Formula | C7H6ClN3S |
| Molecular Weight | 199.66 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 2-((4-Chloro-6-methylpyrimidin-2-yl)thio)acetonitrile.
2-((4-Chloro-6-methylpyrimidin-2-yl)thio)acetonitrile (CAS 56605-40-4) is a high-purity analytical reference standard with the molecular formula C7H6ClN3S and a molecular weight of 199.66 g/mol.
Structurally, 2-((4-Chloro-6-methylpyrimidin-2-yl)thio)acetonitrile (C7H6ClN3S) contains a nitrile group, sulfur-containing functionality, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 199.66 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.
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 | C7H6ClN3S |
| Molecular Weight | 199.66 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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Recommended Standards
- (E)-({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methylidene)(methyl)amine (CAS 477851-59-5)
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- (7-Chlorothieno[3,2-b]pyridin-2-yl)methanol, 97% (CAS 638219-26-8)
- 2-Chloro-1-methoxy-4-thiocyanatobenzene (CAS 89818-36-0)
- 2-Chloro-3-ethoxy-4-fluoro-1-methylbenzene (CAS 1807258-33-8)
- 4-(5,6-Dimethylbenzo[d]oxazol-2-yl)aniline (CAS 313549-30-3)
- 5-Bromo-2-methoxy-6-methylpyrimidin-4-ol (CAS 55996-07-1)
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- 4,16a-Dibromoestrone (CAS 81072-41-5)
- 1-(2-(4-Chlorophenyl)quinolin-4-yl)ethanol (CAS 6334-29-8)
- (5E)-5-[(6-Bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 442671-38-7)
- 4-Chloro-6-(morpholin-4-yl)quinazoline (CAS 153437-50-4)
- 6-Chloro-1,2,3,4-tetrahydroisoquinolin-4-ol (CAS 1216281-89-8)
- Neuroendocrine Regulatory Peptide-1 (rat) (CAS 954420-51-0)
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