CHEBI:59097 - tetrachlorophthalic anhydride

ChEBI IDCHEBI:59097
ChEBI Nametetrachlorophthalic anhydride
Stars
DefinitionA cyclic dicarboxylic anhydride that is phthalic anhydride chlorinated at the 4-, 5-, 6- and 7-positions.
Last Modified12 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8Cl4O3
Net Charge0
Average Mass285.897
Monoisotopic Mass283.86015
SMILESO=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIInChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKeyAUHHYELHRWCWEZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application:
cross-linking reagent  A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified.
ChEBI Ontology
Outgoing Relation(s)
tetrachlorophthalic anhydride (CHEBI:59097) has functional parent phthalic anhydride (CHEBI:36605)
tetrachlorophthalic anhydride (CHEBI:59097) has role allergen (CHEBI:50904)
tetrachlorophthalic anhydride (CHEBI:59097) has role cross-linking reagent (CHEBI:50684)
tetrachlorophthalic anhydride (CHEBI:59097) is a cyclic dicarboxylic anhydride (CHEBI:36609)
tetrachlorophthalic anhydride (CHEBI:59097) is a tetrachlorobenzene (CHEBI:26888)
IUPAC Name 
4,5,6,7-tetrachloro-2-benzofuran-1,3-dione
Synonyms  Source
1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuranChemIDplus
4,5,6,7-Tetrachloro-1,3-isobenzofurandioneChemIDplus
TetrathalChemIDplus
etrachlorophthalic acid anhydrideNIST Chemistry WebBook
Registry NumbersSources
Reaxys:211560Reaxys
CAS:117-08-8ChemIDplus
CAS:117-08-8NIST Chemistry WebBook
Citations