Shandong Huashang Chemical Co., Ltd. is a high-tech enterprise focused on industry of fine chemicals research and develop, produce and sale. Shandong Huashang Chemical Co., Ltd. is located in Shan Dong Ji Nan China. we have the ability to provide you high quality products. More than 90 % of our products are exported to developed countries and regions such as north America, Europe, Japan, South Korea and the Middle East.
4-CHLORO-2-METHYLPYRIMIDINE
1. Basic Information
Name: 4-Chloro-2-methylpyrimidine
Alias: 2-Methyl-4-chloropyrimidine
CAS No.: 4994-86-9
Molecular Formula: C5H5ClN2
Molecular Weight: 128.56
Category: Chlorinated pyrimidine heterocyclic building block, pharmaceutical synthetic intermediate, agrochemical raw material
2. Physical and Chemical Properties
Physical Properties
- Appearance: Colorless to pale yellow transparent oily liquid
- Odor: Faint characteristic pyrimidine heterocyclic odor
- Solubility: Miscible with dichloromethane, toluene, ethanol, acetonitrile, THF; slightly soluble in cold water, soluble in hot water; insoluble in aliphatic alkanes
- Melting Point: ?8 ℃
- Boiling Point: 178–182 ℃
- Density (20℃): 1.18–1.20 g/cm3
- Refractive Index nD20: 1.528–1.532
- Flash Point: 68 ℃
- Hygroscopy: Non-hygroscopic
- Aqueous property: Weakly alkaline in water, stable at neutral pH; slow hydrolysis under strong acid/alkali heating to produce 2-methylpyrimidin-4-ol
Chemical Properties
- Molecular structure: Pyrimidine ring substituted with methyl at C2 and chlorine at C4; C4 aryl chloride has high nucleophilic substitution activity
- Nucleophilic aromatic substitution: C4-Cl easily replaced by amines, alcohols, hydrazine to construct amino, alkoxy pyrimidine drug fragments
- Methyl functionalization: C2 methyl can undergo halogenation, condensation, oxidation to introduce aldehyde, carboxylic acid side chains
- Reduction reaction: Chlorine atom can be removed via catalytic hydrogenation to obtain 2-methylpyrimidine
- Thermal stability: Stable below 160 ℃; prolonged high temperature heating causes partial dechlorination and discoloration
- Photostability: Light-sensitive, UV irradiation accelerates free radical decomposition, liquid turns deep yellow
- Compatibility: Compatible with anhydrous polar/non-polar organic solvents; incompatible with strong reducing agents, concentrated strong alkali, strong oxidants
3. Main Application Fields
1. Pharmaceutical Synthetic Intermediate (Core Application)
Key pyrimidine scaffold for anti-tumor, anti-viral, kinase inhibitor, anti-inflammatory and cardiovascular APIs; widely used in targeted small-molecule drug synthesis
2. Agrochemical Raw Material
Precursor for herbicides, fungicides and insecticides with pyrimidine active core
3. Laboratory Organic Synthesis Reagent
Standard substrate for pyrimidine nucleophilic substitution and cross-coupling reaction methodology research
4. Organic Electronic Material Intermediate
Raw material for nitrogen-containing heterocyclic fluorescent dyes and organic semiconductor monomers
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 4994-86-9 |
| Molecular Formula | C5H5ClN2 |
| Appearance | Colorless to pale yellow clear liquid without sediment |
| GC/HPLC Purity | Pharma Intermediate Grade ≥98.0% |
| Water Content (KF) | ≤0.10% |
| Chroma (APHA) | ≤150 |
| Free Chloride Ion | ≤0.05% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | 100ml/1L amber fluorinated glass bottle, 25kg PE plastic drum, 200kg galvanized iron drum |
| Storage Condition | Hermetically sealed cool dry warehouse below 25 ℃, full light shielding, isolate alkaline substances and strong reducing agents |
| Transportation Requirement | Flammable light-sensitive chloropyrimidine liquid, light-proof sealed packaging, away from fire sources |
| Shelf Life | 24 months under nitrogen sealed storage |
Safety Warning
Low-toxic irritant chlorinated pyrimidine liquid. Vapor irritates eyes, respiratory tract and skin; long-term skin contact causes mild allergic itching. All operations must be carried out in ventilated fume hood with nitrile chemical-resistant gloves and splash-proof goggles. Avoid mixing with strong reducing agents to trigger exothermic dechlorination and release toxic chloride vapor. Waste liquid diluted with inert solvent then neutralized before discharge; residual liquid classified as halogen-containing heterocyclic hazardous waste disposed by licensed professional institutions.
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