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CHEBI:76603 - chlorendic acid

ChEBI IDCHEBI:76603
ChEBI Namechlorendic acid
Stars
DefinitionA bridged organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with maleic anhydride followed by hydrolysis of the resulting anhydride. A chemical intermediate used in the preparation of fire-retardant polyester resins and plasticisers.
Last Modified6 December 2013
SubmitterSteve
DownloadsMolfile
FormulaC9H4Cl6O4
Net Charge0
Average Mass388.845
Monoisotopic Mass385.82407
SMILESO=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
InChIInChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
InChIKeyDJKGDNKYTKCJKD-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
ChEBI Ontology
Outgoing Relation(s)
chlorendic acid (CHEBI:76603) has role carcinogenic agent (CHEBI:50903)
chlorendic acid (CHEBI:76603) is a bridged compound (CHEBI:35990)
chlorendic acid (CHEBI:76603) is a dicarboxylic acid (CHEBI:35692)
chlorendic acid (CHEBI:76603) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Synonyms  Source
Chlorendic acidKEGG COMPOUND
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acidKEGG COMPOUND
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acidChemIDplus
1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acidChemIDplus
Hexachloro-endo-methylenetetrahydrophthalic acidChemIDplus
Manual XrefsDatabases
C19204KEGG COMPOUND
Chlorendic_acidWikipedia
Registry NumbersSources
Reaxys:1892213Reaxys
Reaxys:8156979Reaxys
CAS:115-28-6KEGG COMPOUND
CAS:115-28-6ChemIDplus
Citations