4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
Pharmaceutical Materials 2025-03-02
4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
CAS No.: 33089-15-5 | Molecular Formula: C₆H₄ClN₃S | MW: 185.63 g/mol
1. Basic Properties
| Appearance | White to off-white crystalline solid |
|---|---|
| Melting Point | 67–68°C |
| Boiling Point | 340.7±22.0°C (predicted) |
| Density | 1.45±0.1 g/cm³ (predicted) |
| Solubility | – Organic solvents (DMSO, ethanol) |
| – Insoluble in water |
2. Chemical Structure
Cl
|
┌───┐
S| |CN
└───┘
|
CH₃
3. Hazards (GHS)
| Health Hazards | H302 (Harmful if swallowed) | ||
|---|---|---|---|
| Skin/Irritation | H315/H319 (Causes skin/eye irritation) | ||
| Environmental | H411 (Toxic to aquatic life) | ||
| NFPA Rating | Health 2 | Flammability 1 | Reactivity 0 |
4. Storage & Handling
- Storage: Tightly sealed, dry, 2–8°C (protect from light)
- Handling: Use nitrile gloves, goggles, and fume hood
5. Applications
- Pharmaceutical intermediate: Synthesis of antiviral/anticancer agents
- Agrochemicals: Precursor for pyrimidine-based pesticides
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