2,6-Dichloro-4-nitrophenol

1. Basic Information

• Chemical Name: 2,6-Dichloro-4-nitrophenol
• Synonyms:
  • 4-Nitro-2,6-dichlorophenol
  • DCNP
• CAS Number: 618-42-8
• Molecular Formula: C₆H₃Cl₂NO₃
• Molecular Weight: 208.00 g/mol

2. Physical and Chemical Properties

• Appearance: Yellow crystalline solid
• Melting Point: ~125–128°C
• Boiling Point: Decomposes before boiling
• Density: ~1.6 g/cm³ (estimated)
• Solubility:
  • Slightly soluble in water
  • Soluble in organic solvents (ethanol, acetone, ether, benzene)
• pKa: ~4.5–5.0 (weakly acidic due to –NO₂ and –Cl groups)

3. Chemical Structure

• SMILES: Oc1c(Cl)cc(N+[O-])cc1Cl
• InChI Key: UFDGKNKIRNQPGQ-UHFFFAOYSA-N

4. Hazard and Safety Information

• GHS Classification:
  • H302: Harmful if swallowed
  • H315: Causes skin irritation
  • H318: Causes serious eye damage
  • H335: May cause respiratory irritation
• Precautionary Statements:
  • P261: Avoid breathing dust/fume.
  • P280: Wear gloves/eye protection.
  • P305+P351+P338: IF IN EYES: Rinse cautiously with water.
• NFPA Rating:
  • Health: 2 | Flammability: 1 | Reactivity: 0

5. Storage and Handling

• Storage Conditions: Keep in a cool, dry, dark place in a tightly sealed container.
• Stability: Stable under normal conditions but may decompose under strong light.
• Incompatibilities: Strong bases, reducing agents, and oxidizers.

6. Applications

• Chemical Intermediate: Used in dye and pesticide synthesis.
• Biocide: Acts as a fungicide and bactericide.
• Research: Used in organic chemistry for nitrophenol studies.

Disclaimer:

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