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Home > Encyclopedia > 5-CHLOROISOINDOLIN-1-ONE

5-CHLOROISOINDOLIN-1-ONE

5-CHLOROISOINDOLIN-1-ONE structure

5-CHLOROISOINDOLIN-1-ONE 

structure
  • CAS No:

    74572-29-5

  • Formula:

    C8H6ClNO

  • Chemical Name:

    5-CHLOROISOINDOLIN-1-ONE

  • Synonyms:

    5-CHLOROISOINDOLIN-1-ONE;5-Chloro-2,3-dihydroisoindol-1-one;1H-Isoindol-1-one, 5-chloro-2,3-dihydro-;5-Chloro-1-isoindolinone;5-Chloro-2,3-dihydro-1H-isoindol-1-one

5-CHLOROISOINDOLIN-1-ONE Basic Attributes

167.59

167.013794

DTXSID80599922

2933790090

Characteristics

29.1

1.4

1.4±0.1 g/cm3

436.5°C at 760 mmHg

217.8±28.7 °C

1.602

Safety Information

IRRITANT

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

5-CHLOROISOINDOLIN-1-ONE Use and Manufacturing

A suspension of copper (I) iodide (88 mg, 0.46 mmol), l-(3-bromophenyl)ethan-l-ol (1.85 g, 9.19 mmol) potassium carbonate (0.65 g, 4.59 mmol) and 5-chloroisoindolin-l-one (0.77 g, 4.59 mmol) in anhydrous A' A'-d i m e th y 1 fo rm am i dc (3.8 mL) was purged with nitrogen and heated at 150 C for 16 h. The mixture was diluted with 10% ammonium hydroxide solution. General Work-up Procedure 1 was followed. The residue was purified on silica gel (ethyl acetate in hexanes 40% isocratic) to give the title compound as an off-white solid. Yield: 0.42 g (32%).A mixture of In a 25 mL sealed tube, [A] 2-(8-Amino-5, 6, 7, 8-tetrahydro-isoquinolin-4-yl)-

Computed Properties

Molecular Weight:167.59
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:167.0137915
Monoisotopic Mass:167.0137915
Topological Polar Surface Area:29.1
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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