6707-12-6 Purity
98.0%(GC)
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Specification
The molecular formula of chlorendic acid is C9H4Cl6O4.
The molecular weight of chlorendic acid is 388.8 g/mol.
The synonyms of chlorendic acid include CHLORENDIC ACID, 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, and HET acid.
The IUPAC name of chlorendic acid is 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.
The InChI of chlorendic acid is 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).
The InChIKey of chlorendic acid is DJKGDNKYTKCJKD-UHFFFAOYSA-N.
The other identifiers of chlorendic acid include CAS number 115-28-6, EC number 204-078-9, ChEMBL ID CHEMBL462314, DSSTox Substance ID DTXSID2020268, KEGG ID C19204, NCI Thesaurus Code C44353, Nikkaji Number J40.560D, NSC Number 41876, and Wikidata Q1854296.
The computed properties of chlorendic acid include a molecular weight of 388.8 g/mol, XLogP3-AA value of 2, Hydrogen Bond Donor Count of 2, and Hydrogen Bond Acceptor Count.
Chlorendic acid appears as fine white free-flowing crystals or white powder. It is odorless. It is a bridged organochlorine compound used in the preparation of fire-retardant polyester resins and plasticizers. It is also a carcinogenic agent.
Chlorendic acid is used as a reactive flame retardant, chemical intermediate, hardening agent, and extreme pressure lubricant.