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Home > Encyclopedia > 1-Chloro-1λ3,2-benziodoxol-3-one

1-Chloro-1λ3,2-benziodoxol-3-one

1-Chloro-1λ3,2-benziodoxol-3-one structure

1-Chloro-1λ3,2-benziodoxol-3-one 

structure
  • CAS No:

    59457-26-0

  • Formula:

    C7H4ClIO2

  • Chemical Name:

    1-Chloro-1λ3,2-benziodoxol-3-one

  • Synonyms:

    1-Chloro-1λ3,2-benziodoxol-3-one;3H-1,2-Benziodoxol-3-one, 1-chloro-;1-Chloro-1,2-benziodoxol-3(1H)-one 98.0-102.0% (AT);1-Chloro-1,2-benziodoxol-3-one, 98%;1-chloro-1,2-benziodoxolin-3-one;1-chloro-1λ3 -benzo[d][1,2]iodaoxol-3(1H)-one;1-Chloro-1,2-benziodoxol-3(1H)-one;1-Chloro-1,2-benziodoxol-3(1H)-one - [C15861]

1-Chloro-1λ3,2-benziodoxol-3-one Basic Attributes

282.46

282.46

141400

191950

DTXSID10307532

White to Light Yellow

29349990

Characteristics

26.3 Ų

172-173 °C

2-8°C

Safety Information

WGK 3

1-Chloro-1λ3,2-benziodoxol-3-one Use and Manufacturing

1-Chloro-1,2-benziodoxol-3(1H)-one is an intermediate in the synthesis of 3-((5-Chloro-4-(pyridin-3-yl)pyrimidin-2-yl)amino)-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)benzamide (C179120), an impurity of Nilotinib (N465300), which might be useful in treatment of chronic myelogenous leukemia.

Computed Properties

Molecular Weight:282.46
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Exact Mass:281.89445
Monoisotopic Mass:281.89445
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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