chlorendic acid (CHEBI:76603)

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ChEBI Name	chlorendic acid

ChEBI ID	CHEBI:76603

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C9H4Cl6O4

Net Charge

Average Mass

388.84400

Monoisotopic Mass

385.82407

InChI

InChI=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)

InChIKey

DJKGDNKYTKCJKD-UHFFFAOYSA-N

SMILES

OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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	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	Sources
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid	ChemIDplus
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid	KEGG COMPOUND
1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)-5-heptene-2,3-dicarboxylic acid	ChemIDplus
Chlorendic acid	KEGG COMPOUND
Hexachloro-endo-methylenetetrahydrophthalic acid	ChemIDplus

Last Modified

06 December 2013