CAS 100114-53-2

5-Chloro-1,2,3-benzenetriamine

Description:

5-Chloro-1,2,3-benzenetriamine, with the CAS number 100114-53-2, is an organic compound characterized by the presence of three amino groups (-NH2) and a chlorine atom attached to a benzene ring. This compound is a derivative of benzene, where the chlorine substituent is located at the fifth position relative to the amino groups. It typically appears as a solid and is soluble in polar solvents due to the presence of amino groups, which can engage in hydrogen bonding. The compound exhibits basic properties due to the amino groups, making it reactive in various chemical reactions, including nucleophilic substitutions and coupling reactions. Its structure allows for potential applications in dye synthesis, pharmaceuticals, and as an intermediate in organic synthesis. However, handling should be approached with caution due to the potential toxicity associated with amines and halogenated compounds. As with many amines, it may also be sensitive to oxidation and can form salts with acids.

Formula: C₆H₈ClN₃

InChI: InChI=1S/C6H8ClN3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,8-10H2

InChI key: InChIKey=JIGLHKJLEWNHSS-UHFFFAOYSA-N

SMILES: NC1=C(N)C=C(Cl)C=C1N

Synonyms:

• NSC 364048
• 5-Chloro-1,2,3-benzenetriamine
• 1,2,3-Benzenetriamine, 5-chloro-