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CHEBI:36605 - phthalic anhydride

ChEBI IDCHEBI:36605
ChEBI Namephthalic anhydride
Stars
DefinitionThe cyclic dicarboxylic anhydride that is the anhydride of phthalic acid.
Last Modified7 March 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H4O3
Net Charge0
Average Mass148.117
Monoisotopic Mass148.01604
SMILESO=C1OC(=O)c2ccccc21
InChIInChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChIKeyLGRFSURHDFAFJT-UHFFFAOYSA-N
Wikipedia
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.
ChEBI Ontology
Outgoing Relation(s)
phthalic anhydride (CHEBI:36605) has role allergen (CHEBI:50904)
phthalic anhydride (CHEBI:36605) is a 2-benzofurans (CHEBI:38831)
phthalic anhydride (CHEBI:36605) is a cyclic dicarboxylic anhydride (CHEBI:36609)
Incoming Relation(s)
tetrachlorophthalic anhydride (CHEBI:59097) has functional parent phthalic anhydride (CHEBI:36605)
trimellitic anhydride (CHEBI:53050) has functional parent phthalic anhydride (CHEBI:36605)
IUPAC Name 
2-benzofuran-1,3-dione
Synonyms  Source
1,2-benzenedicarboxylic acid anhydrideNIST Chemistry WebBook
1,3-dioxophthalanNIST Chemistry WebBook
1,3-isobenzofurandioneNIST Chemistry WebBook
1,3-phthalandioneChemIDplus
o-phthalic acid anhydrideNIST Chemistry WebBook
ortho-phthalic acid anhydrideChEBI
Manual XrefsDatabases
Phthalic_anhydrideWikipedia
Registry NumbersSources
Reaxys:118515Reaxys
Gmelin:27200Gmelin
CAS:85-44-9ChemIDplus
CAS:85-44-9NIST Chemistry WebBook
Citations