Agrochemicals

3-Nitrobenzonitrile (CAS No. 619-24-9)

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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

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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)

 

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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

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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

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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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