Agrochemicals

1-Cyclohexene-1-acetonitrile (CAS No. 6975-71-9) 

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1. Basic Information

• IUPAC Name: 2-(Cyclohex-1-en-1-yl)acetonitrile
• Synonyms:
  • Cyclohexenylacetonitrile
  • 1-Cyclohexene-1-methyl cyanide
• CAS Number: 6975-71-9
• Molecular Formula: C₈H₁₁N
• Molecular Weight: 121.18 g/mol
• Appearance: Colorless to pale yellow liquid
• Odor: Mild, nitrile-like odor

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2. Physical and Chemical Properties

Property	Value
Boiling Point	95–98°C (203–208°F) at 15 mmHg
Density	0.96–0.98 g/cm³ (20°C)
Refractive Index	1.480–1.485 (20°C)
Flash Point	85°C (185°F) (closed cup)
Solubility	– Water: Slightly soluble
	– Organic solvents: Miscible with ethanol, ether, acetone
Vapor Pressure	~0.5 mmHg at 25°C

 

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3. Hazards (GHS Classification)

• Health Hazards:
  • Harmful if swallowed (H302)
  • Causes skin irritation (H315)
  • Causes serious eye irritation (H319)
• Environmental: Toxic to aquatic life (H411)
• NFPA Rating: Health 2, Flammability 2, Reactivity 1

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4. Storage and Handling

• Storage:
  • Keep in tightly sealed amber containers under nitrogen
  • Store in a cool, dry, well-ventilated area
• Handling:
  • Use nitrile gloves, safety goggles, and a fume hood
  • Avoid contact with strong oxidizers

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5. Applications

• Organic Synthesis:
  • Intermediate for pharmaceuticals (e.g., vitamin D analogs)
  • Precursor for fragrances and flavor compounds
• Polymer Chemistry:
  • Monomer for specialty resins

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