3-Nitrobenzonitrile
Agrochemicals 2025-03-02
3-Nitrobenzonitrile (CAS No. 619-24-9)
1. Basic Information
- IUPAC Name: 3-Nitrobenzonitrile
- Synonyms:
- m-Nitrobenzonitrile
- 3-Cyanonitrobenzene
- CAS Number: 619-24-9
- Molecular Formula: C₇H₄N₂O₂
- Molecular Weight: 148.12 g/mol
- Appearance: Pale yellow crystalline powder
- Odor: Faint aromatic odor
2. Physical and Chemical Properties
| Property | Value |
|---|---|
| Melting Point | 112–115°C (234–239°F) |
| Boiling Point | 295–298°C (563–568°F) |
| Density | 1.29 g/cm³ (20°C) |
| Solubility | – Water: Insoluble |
| – Organic solvents: Soluble in ethanol, acetone, DMF | |
| Refractive Index | 1.565 (20°C) |
| Flash Point | >110°C (230°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 1
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 a fume hood
- Avoid dust generation
5. Applications
- Pharmaceuticals:
- Intermediate for antihypertensive drugs
- Agrochemicals:
- Synthesis of herbicides and fungicides
- Organic Synthesis:
- Precursor for heterocycles (e.g., benzimidazoles)
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