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3-(4-Iodophenyl)-2H-chromen-2-one - ≥95% , CAS No.25229-74-7

3-(4-Iodophenyl)-2H-chromen-2-one - ≥95% , CAS No.25229-74-7

Name: 3-(4-Iodophenyl)-2H-chromen-2-one - ≥95% , CAS No.25229-74-7
SKU: I1352282
Availability: InStock

CAS: 25229-74-7 Cat. No.: I1352282 Summenformel: C₁₅H₉O₂I Molekulargewicht: 348.13 EG-Nummer: 881-368-7 PubChem CID: 631538

COA

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GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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.

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)I
IUPAC Name	3-(4-iodophenyl)chromen-2-one
InChIKey	SECODLMNIMINDN-UHFFFAOYSA-N
INCHI	1S/C15H9IO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
Isomere SMILES	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)I
PubChem CID	631538
Molekulargewicht	348.13

Documentation

📋 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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Klasse Isoflavonoids
    - Subclass Isoflav-3-enes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Klasse	Isoflavonoids
Subclass	Isoflav-3-enes
Intermediate Tree Nodes	Not available
Direct Parent	Isoflav-3-enones
Alternative Parents	Coumarins and derivatives 1-benzopyrans Pyranones and derivatives Iodobenzenes Aryl iodides Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Halobenzene - Iodobenzene - Pyranone - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organoiodide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	348.130 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	347.965 Da
Monoisotopic Mass	347.965 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	356.000
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

Lösungsrechner

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