1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione - ≥95% , CAS No.1631-29-4

CAS: 1631-29-4 Cat. No.: N167722 Molecular Weight: 207.62 EC Number: 216-632-7
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
1H-Pyrrole-2, 1-(4-chlorophenyl)- | DTXSID70167513 | SCHEMBL962950 | 1H-Pyrrole-2,5-dione, 1-(4-chlorophenyl)- | N-(p-Chlorophenyl)maleimide | J-503272 | 4G-904 | 7M36TYL94R | Z56891373 | 1-BENZYL-1H-BENZOIMIDAZOL-5-YLAMINETRIHYDROCHLORIDE | FT-0605683 |
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
N167722-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$399.90
250mg
N167722-250mg
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$46.90

$47.90
Save $1.00 (2.09%)
1g
N167722-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$134.90
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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
1H-Pyrrole-2, 1-(4-chlorophenyl)- | DTXSID70167513 | SCHEMBL962950 | 1H-Pyrrole-2, 5-dione, 1-(4-chlorophenyl)- | N-(p-Chlorophenyl)maleimide | J-503272 | 4G-904 | 7M36TYL94R | Z56891373 | 1-BENZYL-1H-BENZOIMIDAZOL-5-YLAMINETRIHYDROCHLORIDE | FT-0605683 |
Specifications & Purity
≥95%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesC1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
IUPAC Name1-(4-chlorophenyl)pyrrole-2,5-dione
InChIKeyFPZQYYXSOJSITC-UHFFFAOYSA-N
INCHI1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
Isomeric SMILES C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
WGK Germany 3
RTECS ON5075000
Molecular Weight 207.62
Reaxy-Rn 139337
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139337&ln=

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrrolines
SubclassPhenylpyrrolines
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrrolines
Alternative Parents Maleimides  Chlorobenzenes  N-substituted carboxylic acid imides  Aryl chlorides  Pyrroles  Dicarboximides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 1-phenylpyrroline - Chlorobenzene - Halobenzene - Maleimide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Azacycle - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-268 (49410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MGLL Tchem Monoglyceride lipase (1909 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Faah Anandamide amidohydrolase (3907 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nannizzia gypsea (2039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus flavus (8875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus niger (16508 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus fumigatus (16427 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida tropicalis (8381 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichophyton rubrum (3646 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trichophyton mentagrophytes (4846 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RTT109 Histone acetyltransferase RTT109 (463 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:

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

3 results found

Lot NumberCertificate TypeDateItem
L2523572Certificate of AnalysisNov 05, 2025 N167722
L2523575Certificate of AnalysisNov 05, 2025 N167722
L2523577Certificate of AnalysisNov 05, 2025 N167722
Chemical and Physical Properties
Melt Point(°C)115-120 °C
Molecular Weight207.610 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass207.009 Da
Monoisotopic Mass207.009 Da
Topological Polar Surface Area37.400 Ų
Heavy Atom Count14
Formal Charge0
Complexity274.000
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
Reviews

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