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4-Bromodibenzothiophene
1. Basic Information
Name: 4-Bromodibenzothiophene
CAS No.: 97511-05-2
Molecular Formula: C12H7BrS
Molecular Weight: 263.15
Category: Brominated dibenzothiophene sulfur heterocyclic optoelectronic intermediate
2. Physical and Chemical Properties
Physical Properties
- Appearance: Off-white to pale yellow crystalline powder
- Odor: Faint sulfur heterocyclic odor
- Solubility: Soluble in toluene, THF, chloroform, dichlorobenzene; slightly soluble in hot methanol and ethanol; insoluble in water and aliphatic alkanes
- Melting Range: 108–112 °C
- Hygroscopy: Non-hygroscopic under normal ambient humidity
- Aqueous Property: Lipophilic neutral sulfur-containing fused heterocycle, insoluble in pure water
Chemical Properties
- Molecular Structure: Dibenzothiophene fused ring with bromine substituent at the 4-position
- Aryl Bromide Activity: C-Br bond participates in Suzuki-Miyaura, Buchwald-Hartwig, Sonogashira cross-coupling reactions to construct conjugated optoelectronic skeletons
- Sulfur Ring Stability: Dibenzothiophene core has excellent thermal and oxidative stability compared with simple thiophene
- Thermal Stability: Stable below 100 °C; no obvious decomposition under OLED vacuum evaporation temperature
- Photostability: Sensitive to ultraviolet light; long-term illumination produces trace oxidation impurities and darkens powder
- Compatibility: Compatible with aromatic organic solvents; incompatible with strong oxidants, concentrated strong acid and heavy metal catalysts
3. Main Application Fields
1. Organic Optoelectronic Material Intermediate (Core Application)
Key monomer for synthesizing OLED luminescent host materials, hole transport materials and organic photoconductors; dibenzothiophene unit improves carrier transport efficiency and thermal stability of devices
2. Organic Semiconductor Research Reagent
Standard sulfur-containing conjugated substrate for laboratory organic field-effect transistor and organic photovoltaic research
3. HPLC Reference Standard
Reference substance for quality inspection of bromodibenzothiophene intermediates in optoelectronic chemical production
4. Quality Specification Table
| Test Item | Standard Specification |
| CAS Number | 97511-05-2 |
| Molecular Formula | C12H7BrS |
| Appearance | Uniform off-white crystalline powder without visible foreign impurities |
| HPLC Purity | Optoelectronic Grade ≥99.5%; Synthetic Intermediate Grade ≥99.0% |
| Water Content (KF) | ≤0.20% |
| Melting Range | 108–112 °C |
| Residue on Ignition | ≤0.05% |
| Single Unknown Impurity | ≤0.10% |
| Heavy Metals (Pb) | ≤10 ppm |
| Packaging | Nitrogen-purged amber vacuum aluminum foil bags / PE-lined fiber drums |
| Storage Condition | Hermetically sealed dark dry warehouse below 25 °C; strictly isolated from light, oxidants and acidic reagents |
| Transportation Requirement | Light-sensitive brominated sulfur heterocyclic solid, fully sealed light-proof moisture-proof packaging |
| Shelf Life | 24 months under nitrogen-filled vacuum sealed storage |
Safety Warning
Irritant brominated sulfur fused heterocyclic powder. Dust irritates eyes, respiratory tract and skin; long-term contact may induce mild allergic dermatitis for sensitive groups. All operations must be carried out inside ventilated chemical fume hoods with dust respirators, chemical-resistant gloves and full-face safety goggles. Airtight dark storage is required to prevent photooxidation discoloration. Waste liquid needs organic solvent recovery and neutralization treatment; solid waste is classified as organic hazardous waste and must be disposed by licensed professional hazardous waste treatment facilities.
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