[Hydroxy(tosyloxy)iodo]benzene

C13H13IO4SCAS 27126-76-7392.21 g/mol

Open in Covalent MOL file
SOOOIHO
Aryl halide

Properties

Molecular formula
C13H13IO4S
Molar mass
392.21 g/mol
Exact mass
391.9579 Da
Melting point
134–136 °C
logP
2.90Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
27126-76-7
SMILES
Cc1ccc(S(=O)(=O)OI(O)c2ccccc2)cc1
InChIKey
LRIUKPUCKCECPT-UHFFFAOYSA-N
InChI
InChI=1S/C13H13IO4S/c1-11-7-9-13(10-8-11)19(16,17)18-14(15)12-5-3-2-4-6-12/h2-10,15H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Iodine, hydroxy(4-methylbenzenesulfonato-κO)phenyl-
  • Benzene, [hydroxy[(p-tolylsulfonyl)oxy]iodo]-
  • Iodine, hydroxy(4-methylbenzenesulfonato-O)phenyl-
  • Benzenesulfonic acid, 4-methyl-, iodine complex
  • Hydroxy(4-methylbenzenesulfonato-κO)phenyliodine
  • Phenyliodoso hydroxide tosylate
  • Hydroxy(4-methylbenzenesulfonato-O)phenyliodine
  • Phenyliodosyl hydroxide tosylate
  • HTIB
  • Koser's reagent
  • [Hydroxy(4-toluenesulfonato)iodo]benzene
  • Reagents, koser's
  • Hydroxy(phenyl)iodo tosylate
  • NSC 294176
  • (Hydroxy(tosyloxy)iodo)benzene

Work with [Hydroxy(tosyloxy)iodo]benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

p-Toluenesulfonic anhydride4124-41-850 % similar Tropolone tosylate38768-08-048 % similar Methyl p-toluenesulfonate80-48-847 % similar Ethylene glycol ditosylate6315-52-246 % similar 1,3-Propanediol ditosylate5469-66-944 % similar Ethyl p-toluenesulfonate80-40-044 % similar Benzyl-PEG5-ots129086-10-844 % similar Tosylate of triethylene glycol monobenzyl ether84131-04-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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