4-Chlorophenyl isocyanate
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Category：Agrochemicals
Introduction
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
Disclaimer:
The above content is for reference and communication only among industry insiders, and does not guarantee its accuracy or completeness. According to relevant laws and regulations and the regulations of this website, units or individuals who purchase related items should obtain valid qualifications and qualification conditions.
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