CAS 104147-33-3

1,3-Dichloro-5-isocyanato-2-(1,1,2,2-tetrafluoroethoxy)benzene

Description:

1,3-Dichloro-5-isocyanato-2-(1,1,2,2-tetrafluoroethoxy)benzene, with CAS number 104147-33-3, is a synthetic organic compound characterized by its complex structure, which includes both dichloro and isocyanate functional groups. This compound is typically a solid at room temperature and exhibits a high degree of stability due to the presence of the aromatic benzene ring. The dichloro substituents enhance its reactivity, particularly in nucleophilic substitution reactions, while the isocyanate group is known for its ability to react with amines and alcohols, making it useful in the synthesis of various polymers and pharmaceuticals. The tetrafluoroethoxy group contributes to its unique properties, including increased hydrophobicity and thermal stability. Additionally, the presence of fluorine atoms often imparts enhanced chemical resistance and lower surface energy. Due to its potential applications in materials science and organic synthesis, handling this compound requires caution due to its reactivity and possible toxicity associated with isocyanates.

Formula: C₉H₃Cl₂F₄NO₂

InChI: InChI=1S/C9H3Cl2F4NO2/c10-5-1-4(16-3-17)2-6(11)7(5)18-9(14,15)8(12)13/h1-2,8H

InChI key: InChIKey=DIBJOUIDJQRDBM-UHFFFAOYSA-N

SMILES: O(C(C(F)F)(F)F)C1=C(Cl)C=C(N=C=O)C=C1Cl

Synonyms:

• 1,3-Dichloro-5-Isocyanato-2-(1,1,2,2-Tetrafluoroethoxy)Benzene
• Benzene, 1,3-dichloro-5-isocyanato-2-(1,1,2,2-tetrafluoroethoxy)-
• N-{[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl}-2,6-difluorobenzamide
• 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl isocyanate