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About This Item
Empirical Formula (Hill Notation):
C9H6ClN
CAS Number:
Molecular Weight:
163.60
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
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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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
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