5-Chloro-2-(methylthio)benzonitrile CAS 855197-61-4
| CAS No. | 855197-61-4 |
| Molecular Formula | C8H6ClNS |
| Molecular Weight | 183.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H6ClNS, 5-Chloro-2-(methylthio)benzonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 183.66 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
5-Chloro-2-(methylthio)benzonitrile (CAS 855197-61-4) is a high-purity analytical reference standard with the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol.
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.
As a certified reference material (CRM), 5-Chloro-2-(methylthio)benzonitrile 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 | C8H6ClNS |
| Molecular Weight | 183.66 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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- 5-Chloro-2-methylbenzothiazole (CAS 1006-99-1)
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Recommended Standards
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- 4-(Methoxycarbonyl)nicotinic acid 4-(Methoxycarbonyl)pyridine-3-carboxylic acid 3,4-Pyridine dicarboxylic acid 4-methyl ester 24202-74-2 (CAS 24202-74-2)
- 3-Boc-6-hydroxy-3-azabicyclo[3.1.0]hexane (CAS 1540700-97-7)
- 2-{1-[5-cyclopropyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]propan-2-yl}-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 1006682-82-1)
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