Trichloroacetonitrile CAS 545-06-2

Chemical Name: Trichloroacetonitrile
Synonyms: Cyanotrichloromethane; Trichloromethyl cyanide
CAS No.: 545-06-2
Molecular Formula: C2Cl3N
Molecular Weight: 144.39
Appearance: Liquid

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Trichloroacetonitrile (CAS 545-06-2) Comprehensive User Guide

Contents

1. Product Overview & Specifications

Trichloroacetonitrile (CAS 545-06-2) is a halogenated nitrile compound with molecular formula C3Cl3N. Key technical parameters:

Parameter Value
Purity Grade ≥99.5% (Industrial Grade)
Boiling Point 84-86°C at 20 mmHg
Flash Point 72°C (Closed Cup)
Density 1.48 g/cm³ at 25°C
Vapor Pressure 2.1 mmHg at 20°C
Storage Conditions 2-8°C in airtight containers

2. Key Applications & Industry Uses

Primary industrial applications include:

  • Pharmaceutical intermediates synthesis
  • Agrochemical production (herbicides/pesticides)
  • Organic synthesis catalyst
  • Chemical warfare agent detection systems
  • Polymer modification agent

3. Performance Comparison With Alternatives

Feature Trichloroacetonitrile Acetonitrile Chloroacetonitrile
Reactivity High Moderate Medium-High
Thermal Stability Excellent Good Fair
Solubility in Water 0.8 g/L Miscible 3.2 g/L
LD50 (Oral Rat) 238 mg/kg 2460 mg/kg 140 mg/kg

4. Operational Guidelines & Best Practices

Critical handling protocols:

  • Use NIOSH-approved respirators above 50°C
  • Maintain inert atmosphere during transfer operations
  • Implement secondary containment for bulk storage
  • Neutralize spills with 10% sodium carbonate solution

5. Verified Customer Case Studies

Case 1: Agrochemical Manufacturer (Germany)

  • Challenge: Develop next-gen soil fumigant with lower environmental impact
  • Solution: Used as key intermediate in trifluoromethylpyridine synthesis
  • Result: 40% reduction in production steps vs traditional methods

Case 2: Pharmaceutical Research Lab (USA)

  • Challenge: Create novel HIV protease inhibitor candidates
  • Solution: Served as cyano-group donor in ring-forming reactions
  • Result: Achieved 92% reaction yield under optimized conditions

6. Request Customized Solutions

Contact our chemical engineering team for technical support:

Request bulk pricing, SDS documentation, or custom synthesis projects.

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