4-Chlorophenyl isocyanate
Agrochemicals 2025-03-02
4-Chlorophenyl Isocyanate (CAS No. 104-12-1)
1. Basic Information
- IUPAC Name: 1-Chloro-4-isocyanatobenzene
- Synonyms:
- p-Chlorophenyl isocyanate
- PCI
- CAS Number: 104-12-1
- Molecular Formula: C₇H₄ClNO
- Molecular Weight: 153.57 g/mol
- Appearance: Colorless to pale yellow liquid
- Odor: Sharp, pungent odor (lachrymator)
2. Physical and Chemical Properties
| Property | Value |
|---|---|
| Melting Point | -15°C (5°F) |
| Boiling Point | 205–207°C (401–405°F) |
| Density | 1.25 g/cm³ (20°C) |
| Refractive Index | 1.558 (20°C) |
| Flash Point | 88°C (190°F) (closed cup) |
| Solubility | – Water: Reacts violently |
| – Organic solvents: Soluble in toluene, ether, DCM | |
| Vapor Pressure | 0.15 mmHg at 25°C |
3. Chemical Structure
Cl
|
◯-N=C=O
(◯ = benzene ring with substitutions at positions 1 & 4)
4. Hazards (GHS Classification)
- Acute Toxicity:
- Fatal if inhaled (H330)
- Causes severe skin burns (H314)
- Causes serious eye damage (H318)
- Sensitization: May cause allergic skin reaction (H317)
- Environmental: Toxic to aquatic life (H411)
- NFPA Rating: Health 3, Flammability 1, Reactivity 2
5. Storage and Handling
- Storage:
- Keep in sealed containers under dry inert gas (N₂/Ar)
- Store at 2–8°C with desiccants
- Handling:
- Use full-face respirator with organic vapor cartridge
- Wear butyl rubber gloves and chemical apron
- Work in fume hood with ≥100 fpm face velocity
6. Applications
- Polymer Industry:
- Monomer for polyurethane/polyurea coatings
- Pharmaceuticals:
- Intermediate for carbamate drugs
- Agrochemicals:
- Precursor for urea herbicides
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