CAS 1803572-19-1

Isoquinoline, 4-bromo-7-chloro-, hydrochloride (1:1)

Description:

Isoquinoline, 4-bromo-7-chloro-, hydrochloride (1:1) is a chemical compound characterized by its isoquinoline backbone, which is a bicyclic structure containing a fused benzene and pyridine ring. The presence of bromine and chlorine substituents at the 4 and 7 positions, respectively, contributes to its unique reactivity and potential biological activity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in various applications, including medicinal chemistry and research. This compound may exhibit properties such as antimicrobial, anti-inflammatory, or anticancer activities, which are common in halogenated isoquinoline derivatives. Its molecular structure allows for interactions with biological targets, making it of interest in drug development. Safety and handling precautions should be observed due to the presence of halogenated groups, which can influence toxicity and environmental impact. As with any chemical, proper characterization through techniques such as NMR, IR, and mass spectrometry is essential for confirming its identity and purity.

Formula: C₉H₅BrClN·ClH

InChI: InChI=1S/C9H5BrClN.ClH/c10-9-5-12-4-6-3-7(11)1-2-8(6)9;/h1-5H;1H

InChI key: InChIKey=ISDJIOJUATXWOL-UHFFFAOYSA-N

SMILES: BrC=1C2=C(C=C(Cl)C=C2)C=NC1.Cl

Synonyms:

• Isoquinoline, 4-bromo-7-chloro-, hydrochloride (1:1)

4-Bromo-7-chloroisoquinoline hydrochloride

CAS: 1803572-19-1

Versatile small molecule scaffold

Formula: C₉H₆BrCl₂N

Purity: Min. 95%

Molecular weight: 278.96 g/mol

Ref: 3D-DXC57219