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5-Iodoisophthalic acid - ≥97%, high purity , CAS No.51839-16-8

COA

Grade & Purity:

≥97%

Cas Number: 51839-16-8
Molecular Weight: 292.03
PubChem CID: 103988

In stock

Item Number

I695440

Grouped product items
SKU	Size	Availability	Price
I695440-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
I695440-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
I695440-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
I695440-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$209.90

View related series

Aromatic Ring Compounds (348) Iodinate (5)

Basic Description

Synonyms	5-Iodobenzene-1,3-dicarboxylic acid
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 M-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	M-phthalic acid and derivatives
Alternative Parents	Halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides Carboxylic acids Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta_phthalic_acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Iodobenzene - Halobenzene - Aryl halide - Dicarboxylic acid or derivatives - Aryl iodide - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
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-iodobenzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C8H5IO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey	QMDFYAWUWIIQFM-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1C(=O)O)I)C(=O)O
Isomeric SMILES	C1=C(C=C(C=C1C(=O)O)I)C(=O)O
PubChem CID	103988
Molecular Weight	292.03

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2516491	Certificate of Analysis	Apr 07, 2025	I695440
D2516488	Certificate of Analysis	Apr 07, 2025	I695440
D2516492	Certificate of Analysis	Apr 07, 2025	I695440
D2516493	Certificate of Analysis	Apr 07, 2025	I695440
D2516494	Certificate of Analysis	Apr 07, 2025	I695440
D2516495	Certificate of Analysis	Apr 07, 2025	I695440
D2516496	Certificate of Analysis	Apr 07, 2025	I695440
D2516497	Certificate of Analysis	Apr 07, 2025	I695440

Chemical and Physical Properties

Molecular Weight	292.030 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	291.923 Da
Monoisotopic Mass	291.923 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	206.000
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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