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3,5-Diamino-2,4,6-triiodobenzoic Acid - 97%, high purity , CAS No.5505-16-8

COA

Grade & Purity:

≥97%

Cas Number: 5505-16-8
Molecular Weight: 529.84
PubChem CID: 21680
PubChem SID: 504753050

In stock

Item Number

D331611

Grouped product items
SKU	Size	Availability	Price
D331611-25mg	25mg	3	$67.90
D331611-100mg	100mg	4	$209.90
D331611-250mg	250mg	3	$470.90

a metabolite of Diatrizoate with mutagenic and cytotoxic properties

Basic Description

Synonyms	EINECS 226-845-7 \| BRN 1466919 \| 2,4,6-Triiodo-3,5-diaminobenzoic acid \| FT-0666397 \| DTXSID20203596 \| GOQCZMZLABPEME-UHFFFAOYSA-N \| 3,5-Diamino-2,4,6-triiodobenzoic acid \| AM100939 \| 3,5-Diamino-triiodobenzoic acid \| 3,5-Diamino-2,4,6-triiodobenzoate \| B
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	3,5-Diamino-2,4,6-triiodobenzoic Acid is a metabolite of Diatrizoate with cytotoxic and mutagenic properties.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzoic acids
Alternative Parents	2-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives M-phenylenediamines Iodobenzenes Aryl iodides Vinylogous halides Amino acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organoiodides Organooxygen compounds Organopnictogen compounds Primary amines
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid - M-phenylenediamine - Phenylenediamine - Benzoyl - 1-carboxy-2-haloaromatic compound - Aniline or substituted anilines - Iodobenzene - Halobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organoiodide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
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

Pubchem Sid	504753050
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504753050
IUPAC Name	3,5-diamino-2,4,6-triiodobenzoic acid
INCHI	InChI=1S/C7H5I3N2O2/c8-2-1(7(13)14)3(9)6(12)4(10)5(2)11/h11-12H2,(H,13,14)
InChIKey	GOQCZMZLABPEME-UHFFFAOYSA-N
Smiles	C1(=C(C(=C(C(=C1I)N)I)N)I)C(=O)O
Isomeric SMILES	C1(=C(C(=C(C(=C1I)N)I)N)I)C(=O)O
Molecular Weight	529.84
Reaxy-Rn	1466919
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1466919&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
B2304384	Certificate of Analysis	Nov 07, 2022	D331611
B2304255	Certificate of Analysis	Nov 07, 2022	D331611
B2304343	Certificate of Analysis	Nov 07, 2022	D331611

Chemical and Physical Properties

Solubility	Soluble in Chloroform, Dichloromethane and Methanol
Molecular Weight	529.840 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	529.749 Da
Monoisotopic Mass	529.749 Da
Topological Polar Surface Area	89.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	225.000
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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