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1-Acetoxy-5-bromo-1,2-benziodoxol-3(1H)-one - 97%, high purity , CAS No.1580548-81-7

COA

Grade & Purity:

≥97%

Cas Number: 1580548-81-7
Molecular Weight: 384.95
PubChem CID: 91972141

In stock

Item Number

A151489

Grouped product items
SKU	Size	Availability	Price
A151489-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
A151489-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
A151489-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$449.90

View related series

Hypervalent iodine compounds (20)

Basic Description

Synonyms	(5-bromo-3-oxo-1lambda3,2-benziodoxol-1-yl) acetate \| MFCD28100817 \| 1580548-81-7 \| T70347 \| 1-Acetoxy-5-bromo-1,2-benziodoxol-3(1H)-one \| ABBX \| ABBX
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl iodides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl iodides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl iodides
Alternative Parents	Dicarboxylic acids and derivatives Benzenoids Aryl bromides Acetate salts Oxacyclic compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenoid - Dicarboxylic acid or derivatives - Aryl iodide - Aryl bromide - Acetate salt - Carboxylic acid salt - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organobromide - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aryl iodides. These are organic compounds containing the acyl iodide functional group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(5-bromo-3-oxo-1λ3,2-benziodoxol-1-yl) acetate
INCHI	InChI=1S/C9H6BrIO4/c1-5(12)14-11-8-3-2-6(10)4-7(8)9(13)15-11/h2-4H,1H3
InChIKey	QPZPQFBDNWCSGA-UHFFFAOYSA-N
Smiles	CC(=O)OI1C2=C(C=C(C=C2)Br)C(=O)O1
Isomeric SMILES	CC(=O)OI1C2=C(C=C(C=C2)Br)C(=O)O1
PubChem CID	91972141
Molecular Weight	384.95

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Molecular Weight	384.950 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	383.849 Da
Monoisotopic Mass	383.849 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	296.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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