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N-(3-chlorophenyl)-maleimide - 95%, high purity , CAS No.1204-35-9
Basic Description
Synonyms
1204-35-9 | 1-(3-chlorophenyl)-1H-pyrrole-2,5-dione | 1-(3-chloro-phenyl)-pyrrole-2,5-dione | 1-(3-chlorophenyl)pyrrole-2,5-dione | 1-(3-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione | N-(3-Chlorophenyl)maleimide | CHEMBL578977 | MFCD00022570 | 5105-20-4 | NSC63973 | CBMicr
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
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 Framework
Aromatic 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
Description
This 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
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488189003
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488189003
IUPAC Name
1-(3-chlorophenyl)pyrrole-2,5-dione
INCHI
InChI=1S/C10H6ClNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H
InChIKey
QDEQBRUNBFJJPW-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)Cl)N2C(=O)C=CC2=O
Isomeric SMILES
C1=CC(=CC(=C1)Cl)N2C(=O)C=CC2=O
Molecular Weight
207.618
Reaxy-Rn
139065
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139065&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
207.610 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
207.009 Da
Monoisotopic Mass
207.009 Da
Topological Polar Surface Area
37.400 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
282.000
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
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