4-Iodoisobenzofuran-1,3-dione - ≥97% , CAS No.28418-88-4

CAS: 28418-88-4 Cat. No.: I588564 Molecular Weight: 274.01 EC Number: 880-666-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3-iodophthalic acid anhydride | 3-iodo-phthalic acid anhydride | 4-iodo-2-benzofuran-1,3-dione | C8H3IO3 | GEO-01603 | W-200277 | A854523 | 4-Iodo-isobenzofuran-1,3-dione | 4-iodoisobenzofuran-1,3-dione | MFCD08458692 | SCHEMBL551381 | 3-Iodophthalic anhy
Storage
Protected from light,Room temperature,Argon charged
Shipped In
Normal
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Size
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Price
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250mg
I588564-250mg
3

$9.90

$14.90
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1g
I588564-1g
3

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5g
I588564-5g
2

$42.90

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25g
I588564-25g
1

$179.90

$269.90
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100g
I588564-100g
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$595.90

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Why this grade

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

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Storage & shipping

Protected from light,Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
3-iodophthalic acid anhydride | 3-iodo-phthalic acid anhydride | 4-iodo-2-benzofuran-1, 3-dione | C8H3IO3 | GEO-01603 | W-200277 | A854523 | 4-Iodo-isobenzofuran-1, 3-dione | 4-iodoisobenzofuran-1, 3-dione | MFCD08458692 | SCHEMBL551381 | 3-Iodophthalic anhy
Specifications & Purity
≥97%
Storage
Protected from light, Room temperature, Argon charged
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504758293
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504758293
Canonical SmilesC1=CC2=C(C(=C1)I)C(=O)OC2=O
IUPAC Name4-iodo-2-benzofuran-1,3-dione
InChIKeySKHCDRLTAOLKHQ-UHFFFAOYSA-N
INCHI1S/C8H3IO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H
Isomeric SMILES C1=CC2=C(C(=C1)I)C(=O)OC2=O
Molecular Weight 274.01
Reaxy-Rn 135820
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135820&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzofurans
SubclassBenzofuranones
Intermediate Tree Nodes Not available
Direct ParentPhthalic anhydrides
Alternative Parents Isobenzofuranones  Dicarboxylic acids and derivatives  Benzenoids  Aryl iodides  Vinylogous halides  Carboxylic acid anhydrides  Oxacyclic compounds  Organooxygen compounds  Organoiodides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Aryl halide - Aryl iodide - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid anhydride - Vinylogous halide - Carboxylic acid derivative - Oxacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organoiodide - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

5 results found

Lot NumberCertificate TypeDateItem
J2330625Certificate of AnalysisOct 12, 2023 I588564
J2330626Certificate of AnalysisOct 12, 2023 I588564
J2330628Certificate of AnalysisOct 12, 2023 I588564
J2330629Certificate of AnalysisOct 12, 2023 I588564
J2330630Certificate of AnalysisOct 12, 2023 I588564
Chemical and Physical Properties
SensitivityLight sensitive
Molecular Weight274.010 g/mol
XLogP31.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass273.913 Da
Monoisotopic Mass273.913 Da
Topological Polar Surface Area43.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity238.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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