1-Hydroxy-1,2-benziodoxol-3(1H)-one

Name: 1-Hydroxy-1,2-benziodoxol-3(1H)-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 131-62-4
Cat. No. CS-0086284
Purity≥97%
MDL No.MFCD01658875

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Hydroxy-1,2-benziodoxol-3(1H)-one|CS-0086284

Structure of 131-62-4

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General Information

CAS No. 131-62-4
Cat. No. CS-0086284
Purity ≥97%
MDL No. MFCD01658875
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅IO₃
Molecular Weight 264.02
Synonym(s) 1-Hydroxy-3-oxo-1,3-dihydro-1,2-benzoiodoxole
SMILES O=C1OI(O)C2=CC=CC=C12

Description

This hypervalent iodine reagent delivers efficient oxidation under mild conditions, featuring a stable benziodoxolone scaffold that enables selective functionalization of nucleophiles. Its bench-stable nature and compatibility with diverse reaction media streamline synthetic workflows in complex molecule construction.

Application

1-Hydroxy-1,2-benziodoxol-3(1H)-one serves as a stable, bench-ready hypervalent iodine reagent that facilitates efficient oxidative transformations. It enables reliable C–H functionalization, oxygenation, and cyclization reactions under mild conditions, with excellent functional group tolerance and straightforward purification. Its robustness and compatibility with diverse substrates make it a practical choice for constructing complex heterocyclic scaffolds in synthetic and medicinal chemistry workflows.

Synthesis

Route1
- In-stock
  
  88-67-5
- ~99%
- In-stock
  
  131-62-4
References
- Nicolai, Stefano; Waser, Jerome Organic Letters, 2011 , vol. 13, # 23 p. 6324 - 6327
Route2
- 142260-70-6
- ~78%
- In-stock
  
  131-62-4
References
- Ochiai, Masahito; Nakanishi, Akinobu; Ito, Takao Journal of Organic Chemistry, 1997 , vol. 62, # 13 p. 4253 - 4259
Route3
- In-stock
  
  88-67-5
- 7732-18-5
- ~90%
- In-stock
  
  131-62-4
References
- Huang, Hanchu; Zhang, Guojin; Gong, Li; Zhang, Shuaiyan; Chen, Yiyun Journal of the American Chemical Society, 2014 , vol. 136, # 6 p. 2280 - 2283

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS03,GHS07
Signal Word : Danger	UN#: 1479
Class : 5.1	Packing Group : Ⅱ
Hazard Statements : H272-H302-H312-H315-H319-H332-H335
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 46.53
LogP 1.3553
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Alcohol

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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1-Hydroxy-1,2-benziodoxol-3(1H)-one

CAS No. 131-62-4

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