2-phenacylisoindole-1,3-dione , CAS No.1032-67-3

CAS: 1032-67-3 Cat. No.: P399354 Molecular Weight: 265.26300 EC Number: 654-197-9 PubChem CID: 243038
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Synonyms
CCG-18364 | AKOS001268204 | NSC 52233 | Oprea1_796425 | FT-0768116 | HMS561H09 | 2-phenacylisoindole-1,3-dione | 2-phthalimido-acetophenone | HMS2294M06 | UPCMLD0ENAT5575598:001 | Cambridge id 6749283 | E80873 | Isol Aryl Yellow 10GX | SR-01000461514 | Op
Storage
Room temperature
Shipped In
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1g
P399354-1g
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature 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
CCG-18364 | AKOS001268204 | NSC 52233 | Oprea1_796425 | FT-0768116 | HMS561H09 | 2-phenacylisoindole-1, 3-dione | 2-phthalimido-acetophenone | HMS2294M06 | UPCMLD0ENAT5575598:001 | Cambridge id 6749283 | E80873 | Isol Aryl Yellow 10GX | SR-01000461514 | Op
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O
IUPAC Name2-phenacylisoindole-1,3-dione
InChIKeyNJJQFZCOSJYBII-UHFFFAOYSA-N
INCHI1S/C16H11NO3/c18-14(11-6-2-1-3-7-11)10-17-15(19)12-8-4-5-9-13(12)16(17)20/h1-9H,10H2
Isomeric SMILES C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O
PubChem CID 243038
Molecular Weight 265.26300

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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Phthalimides  Isoindoles  Benzoyl derivatives  Aryl alkyl ketones  N-substituted carboxylic acid imides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alkyl-phenylketone - Phthalimide - Isoindolone - Isoindoline - Isoindole or derivatives - Isoindole - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma cruzi (99888 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Triosephosphate isomerase, glycosomal (493 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Flash Point(°C)208.6ºC
Boil Point(°C)444.9ºC at 760 mmHg
Molecular Weight265.260 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass265.074 Da
Monoisotopic Mass265.074 Da
Topological Polar Surface Area54.500 Ų
Heavy Atom Count20
Formal Charge0
Complexity401.000
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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