α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid - ≥97% , CAS No.96-84-4

CAS: 96-84-4 Cat. No.: E469915 Formula: C11H11I3O3 Peso molecolare: 571.92 Numero EC: 625-411-8
Disponibile su ordine
GRADE & PURITY ≥97%
Synonyms
.ALPHA.-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMIC ACID | Acido iofenoico [INN-Spanish] | FT-0746953 | 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid | Acidum iophenoicum | CAS-96-84-4 | Acido iofenoico | NCGC00160625-02 | Triiodoethionic acid | A
Storage
Store at 2-8°C,Protected from light
Shipped In
Wet ice
★
Size
Germania (EU)
USA*
Price
Qty
250mg
E469915-250mg
Su ordinazione · 8–12 settimane
64,99€
1g
E469915-1g
Su ordinazione · 8–12 settimane
121,40€
5g
E469915-5g
Su ordinazione · 8–12 settimane
451,14€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid (Iophenoxic acid ) is an organic, iodine-containing compound. Iophenoxic acid is an iodinated radiocontrast agent, its clinical use has been withdrawn due to its exceptionally long half-life in the body, since it has high-affinity binding to human serum albumin (HSA). Structural basis of its interaction with HSA has been evaluated.

Purpose

α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid (iophenoxic acid ) was used as marker in “bait acceptance” studies conducted on various animal species. It was used in the direct quantitation of iophenoxic acid in porcine serum samples by a liquid chromatographic-electrospray ionization mass spectrometric technique.

Specifications

Sinonimi
.ALPHA.-ETHYL-3-HYDROXY-2,4,6-TRIIODOHYDROCINNAMIC ACID | Acido iofenoico [INN-Spanish] | FT-0746953 | 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid | Acidum iophenoicum | CAS-96-84-4 | Acido iofenoico | NCGC00160625-02 | Triiodoethionic acid | A
Specifiche e purezza
≥97%
Condizioni di conservazione di stoccaggio
Store at 2-8°C,Protected from light
Spedito in
Wet ice
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Purezza
≥97%
Nomi e identificatori
Sorrisi canoniciCCC(CC1=C(C(=C(C=C1I)I)O)I)C(=O)O
IUPAC Name2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid
InChIKeyGOIQOQCNFWYSTQ-UHFFFAOYSA-N
INCHI1S/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17)
Isomeri SMILES CCC(CC1=C(C(=C(C=C1I)I)O)I)C(=O)O
WGK Germania 3
RTECS MW5280000
Peso molecolare 571.92
Reaxy-Rn 2868146
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2868146&ln=

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassePhenylpropanoic acids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenylpropanoic acids
Alternative Parents P-iodophenols  O-iodophenols  Iodobenzenes  Aryl iodides  Monocarboxylic acids and derivatives  Carboxylic acids  Organoiodides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 3-phenylpropanoic-acid - 4-iodophenol - 4-halophenol - 2-halophenol - 2-iodophenol - Phenol - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Sensibilitàlight & Moisture sensitive
Punto di fusione (°C)146-148 °C (lit.)
Peso molecolare571.920 g/mol
XLogP34.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass571.784 Da
Monoisotopic Mass571.784 Da
Topological Polar Surface Area57.500 Ų
Heavy Atom Count17
Formal Charge0
Complexity275.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is the purity of this product?
This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.
How is this product shipped?
This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 96-84-4, the molecular formula is C11H11I3O3, and the molecular weight is 571.92 g/mol. InChIKey GOIQOQCNFWYSTQ-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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