156744

1-Chloroisoquinoline

95%

• Empirical Formula (Hill Notation): C₉H₆ClN
• CAS Number: 19493-44-8
• Molecular Weight: 163.60
• MDL number: MFCD00024134
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849630
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 95%
• bp: 274-275 °C/768 mmHg (lit.)
• mp: 31-36 °C (lit.)
• functional group: chloro
• SMILES string: Clc1nccc2ccccc12
• InChI: 1S/C9H6ClN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
• InChI key: MSQCQINLJMEVNJ-UHFFFAOYSA-N

Description

Application

The product has been used in a Mn-catalyzed cross-coupling with aryl- and alkylmagnesium halides. It has also been used in a Pd-catalyzed cross-coupling with heteroaryl boronic acids and esters. Furthermore, it has been used in a homocoupling reaction to yield bis-isoquinoline, each enantiomer of which might be very useful as a chiral ligand for asymmetric synthesis.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves