4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile CAS No.: 33089-15-5
Pharmaceutical Materials 2025-03-03
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
| Property | Details |
|---|---|
| Chemical Name | 4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile |
| CAS Number | 33089-15-5 |
| Molecular Formula | C6H4ClN3S |
| Molecular Weight | 185.63 g/mol |
| Appearance | Yellowish Solid |
| Purity | ≥98% |
| Melting Point | 67-68 °C (Solv: benzene) |
| Boiling Point | 340.7±22.0 °C (Predicted) |
| Density | 1.45±0.1 g/cm3 (Predicted) |
| Storage Conditions | Inert atmosphere, Store in freezer, under -20°C |
| PSA (Polar Surface Area) | N/A (but related to molecular polarity) |
| LogP | N/A (indicator of oil/water partition coefficient) |
| Usage | Organic Synthesis, Research Experiments |
| Supplier Information | Various suppliers in China, e.g., Henan, Zhengzhou, with packaging options of 5g, 25g, 100g, 500g, etc. |
| Safety Information | Handle with care, store under specified conditions, and refer to MSDS for detailed safety instructions. |
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