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2-Iodylbenzoic Acid - ≥98%, high purity , CAS No.64297-64-9

COA

Grade & Purity:

Isomer mixture

≥98%

Cas Number: 64297-64-9
Molecular Weight: 280.02
EC Number: 264-773-8
PubChem CID: 108794

In stock

Item Number

I695502

Grouped product items
SKU	Size	Availability	Price
I695502-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
I695502-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
I695502-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
I695502-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90

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Oxidation Reagents (40) Oxidizing agent (18)

Basic Description

Specifications & Purity	Isomer mixture, ≥98%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Isomer mixture

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 Halobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Iodobenzenes Aryl iodides Monocarboxylic acids and derivatives Idoso compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Iodoso compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Organoiodide - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors	organoiodine compound - benzoic acids
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	2-iodylbenzoic acid
INCHI	InChI=1S/C7H5IO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)
InChIKey	FIYYMXYOBLWYQO-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)O)I(=O)=O
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)O)I(=O)=O
Alternate CAS	64297-64-9
PubChem CID	108794
MeSH Entry Terms	2-iodoxybenzoic acid;2-iodylbenzoate;benziodoxole;IBX cpd;o-iodoxybenzoic acid;ortho-iodoxybenzoic acid
Molecular Weight	280.02

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
B2520348	Certificate of Analysis	Sep 21, 2024	I695502
B2520349	Certificate of Analysis	Sep 21, 2024	I695502
B2520350	Certificate of Analysis	Sep 21, 2024	I695502
B2520351	Certificate of Analysis	Sep 21, 2024	I695502
B2520352	Certificate of Analysis	Sep 21, 2024	I695502
B2520353	Certificate of Analysis	Sep 21, 2024	I695502
B2520354	Certificate of Analysis	Sep 21, 2024	I695502
B2520369	Certificate of Analysis	Sep 21, 2024	I695502

Chemical and Physical Properties

Sensitivity	Light sensitive
Melt Point(°C)	250°C
Molecular Weight	280.020 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	279.923 Da
Monoisotopic Mass	279.923 Da
Topological Polar Surface Area	71.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	232.000
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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