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3-Fluorophenylacetylene
1. Basic Information
Name: 3-Fluorophenylacetylene
CAS No.: 2561-17-3
Molecular Formula: C8H5F
Molecular Weight: 120.12
Category: Fluorinated aromatic alkyne fine chemical intermediate
2. Physical and Chemical Properties
Physical Properties
- Appearance: Colorless transparent liquid
- Odor: Mild aromatic hydrocarbon odor
- Solubility: Soluble in methanol, ethanol, acetone, toluene, dichloromethane; insoluble in water
- Boiling Range: 150–153 °C
- Refractive Index: 1.498–1.502
- Hygroscopy: Non-hygroscopic under normal ambient humidity
- Aqueous Property: Lipophilic neutral liquid, no dissolution in water
Chemical Properties
- Molecular Structure: Benzene ring with fluorine substituent at meta position and ethynyl side chain
- Alkyne Reactivity: Terminal alkyne hydrogen can form metal acetylide; undergoes addition, coupling and cycloaddition reactions
- Fluorine Substituent Effect: Meta fluorine adjusts electron cloud distribution of benzene ring for selective organic synthesis
- Thermal Stability: Stable under normal processing temperature; risk of polymerization under high temperature or strong light
- Photostability: Moderately sensitive to UV light; long-term illumination generates trace polymer impurities
- Compatibility: Miscible with most organic solvents; incompatible with strong oxidants, heavy metal catalysts and strong alkali
3. Main Application Fields
1. Pharmaceutical Synthetic Intermediate (Core Application)
Key building block for fluorine-containing anti-inflammatory, anti-tumor and central nervous system APIs; widely used in Sonogashira coupling for constructing drug aromatic skeletons
2. Liquid Crystal & Electronic Material Intermediate
Raw material for synthesizing fluorinated liquid crystal monomers and organic optoelectronic functional materials
3. Organic Synthesis Research Reagent
Standard alkyne substrate for palladium-catalyzed cross-coupling reaction laboratory research
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 2561-17-3 |
| Molecular Formula | C8H5F |
| Appearance | Colorless transparent liquid |
| GC Purity | Synthetic Intermediate Grade ≥99.0% |
| Water Content (KF) | ≤0.10% |
| Color (APHA) | ≤20 |
| Residue on Ignition | ≤0.05% |
| Single Unknown Impurity | ≤0.10% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | Amber lined 200L iron drum / nitrogen-sealed IBC tank |
| Storage Condition | Hermetically sealed cool dark warehouse below 25 °C; isolated from light, oxidants and ignition sources |
| Transportation Requirement | Flammable fluorinated aromatic alkyne liquid, fireproof and light-proof sealed transport |
| Shelf Life | 24 months under nitrogen-filled sealed packaging |
Safety Warning
Flammable irritant fluorinated aromatic liquid. Vapor irritates eyes, nasal tract and skin; inhalation may cause dizziness and respiratory discomfort. All operations shall be conducted in ventilated fume hoods with chemical-resistant gloves and safety goggles, away from open flame and static electricity. Keep airtight storage to prevent volatilization and photopolymerization. Waste liquid belongs to flammable hazardous organic waste and requires centralized solvent recovery and professional disposal.
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