CAS 84540-39-6

1,3-Benzenediamine, 4-chloro-, sulfate (2:1)

Description:

1,3-Benzenediamine, 4-chloro-, sulfate (2:1), also known by its CAS number 84540-39-6, is an organic compound characterized by its aromatic amine structure. It features a benzene ring with two amino groups (-NH2) located at the 1 and 3 positions, and a chlorine substituent at the 4 position, which contributes to its reactivity and potential applications in various chemical processes. The sulfate (2:1) designation indicates that the compound forms a sulfate salt, which can influence its solubility and stability in different environments. This compound is typically used in the synthesis of dyes, pigments, and other organic materials due to its ability to undergo electrophilic substitution reactions. Additionally, its properties may include moderate to high solubility in polar solvents, and it may exhibit biological activity, necessitating careful handling due to potential toxicity. As with many amines, it may also participate in hydrogen bonding, affecting its interactions in biological systems and industrial applications.

Formula: C₆H₇ClN₂H₂O₄S

InChI: InChI=1S/C6H7ClN2.H2O4S/c7-5-2-1-4(8)3-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)

InChI key: InChIKey=MQCUGDYVDRIJAG-UHFFFAOYSA-N

SMILES: S(=O)(=O)(O)O.NC1=C(Cl)C=CC(N)=C1

Synonyms:

• 1,3-Benzenediamine, 4-chloro-, sulfate (2:1)