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CAS 2505-31-9

:

2,4,6-trichlorophenyl isocyanate

Description:
2,4,6-Trichlorophenyl isocyanate is an organic compound characterized by its isocyanate functional group attached to a trichlorophenyl moiety. It is typically a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity. This compound is known for its high reactivity, particularly with nucleophiles, making it useful in various chemical synthesis processes, including the production of pharmaceuticals and agrochemicals. The presence of three chlorine atoms on the phenyl ring enhances its electrophilic character, increasing its potential for substitution reactions. Due to its isocyanate group, it can react with amines to form ureas and with alcohols to produce carbamates. However, it is also important to note that 2,4,6-trichlorophenyl isocyanate is considered hazardous; it can cause irritation to the skin, eyes, and respiratory system, and appropriate safety measures should be taken when handling it. Its environmental impact and potential toxicity necessitate careful management in both laboratory and industrial settings.
Formula:C7H2Cl3NO
InChI:InChI=1/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
SMILES:c1c(cc(c(c1Cl)N=C=O)Cl)Cl
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Purity (%)
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100
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50
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90
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95
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100
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