2-Bromobenzonitrile
Agrochemicals 2025-03-02
2-Bromobenzonitrile (CAS No. 2042-37-7)
1. Basic Information
- IUPAC Name: 2-Bromobenzonitrile
- Synonyms:
- o-Bromobenzonitrile
- 2-Cyanobromobenzene
- CAS Number: 2042-37-7
- Molecular Formula: C₇H₄BrN
- Molecular Weight: 182.02 g/mol
- Appearance: White to pale yellow crystalline solid
- Odor: Faint aromatic odor
2. Physical and Chemical Properties
| Property | Value |
|---|---|
| Melting Point | 52–55°C (126–131°F) |
| Boiling Point | 232–234°C (450–453°F) |
| Density | 1.57 g/cm³ (20°C) |
| Solubility | – Water: Insoluble |
| – Organic solvents: Soluble in ethanol, acetone, ether | |
| Refractive Index | 1.592 (20°C) |
| Flash Point | 105°C (221°F) (closed cup) |
3. Hazards (GHS Classification)
- Acute Toxicity:
- Harmful if swallowed (H302)
- Causes skin irritation (H315)
- Causes serious eye irritation (H319)
- Environmental: Toxic to aquatic life (H411)
- NFPA Rating: Health 2, Flammability 1, Reactivity 0
4. Storage and Handling
- Storage:
- Keep in tightly sealed amber containers
- Store in a cool, dry, well-ventilated area
- Handling:
- Use nitrile gloves, safety goggles, and fume hood
- Avoid dust generation
5. Applications
- Pharmaceuticals:
- Intermediate for antidepressants and antipsychotics
- Agrochemicals:
- Synthesis of fungicides and herbicides
- Material Science:
- Building block for liquid crystals and OLED materials
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