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4-Iodophthalic acid - 97%, high purity , CAS No.6301-60-6

COA

Grade & Purity:

≥97%

Cas Number: 6301-60-6
Molecular Weight: 292.03
EC Number: ‘228-594-9
PubChem CID: 80547

In stock

Item Number

I589722

Grouped product items
SKU	Size	Availability	Price
I589722-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$20.90
I589722-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
I589722-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
I589722-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$246.90

Basic Description

Synonyms	FT-0655112 \| RNU5L68HD6 \| SCHEMBL522679 \| MFCD00673159 \| NSC 42483 \| AS-19216 \| AKOS015890601 \| NSC42483 \| NSC-42483 \| 4-Iodobenzene-o-dicarboxylic acid \| EINECS 228-594-9 \| Phthalic acid, 4-iodo- \| s10854 \| 4-Iodophthalicacid \| 4-iodobenzene-1,2-dicarbox
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Desiccated
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 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	4-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	Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organoiodide - 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	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	4-iodophthalic acid
INCHI	InChI=1S/C8H5IO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey	NVBFLFQAJXJZIE-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1I)C(=O)O)C(=O)O
Isomeric SMILES	C1=CC(=C(C=C1I)C(=O)O)C(=O)O
NSC Number	NSC Number': ['42483
Molecular Weight	292.03
Reaxy-Rn	1959101
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1959101&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	292.030 g/mol
XLogP3	1.700
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	228.000
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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