CHEBI:36605 - phthalic anhydride

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ChEBI Name phthalic anhydride
Definition The cyclic dicarboxylic anhydride that is the anhydride of phthalic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H4O3
Net Charge 0
Average Mass 148.11556
Monoisotopic Mass 148.01604
InChI InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
SMILES O=C1OC(=O)c2ccccc12
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 tetrachlorophthalic anhydride (CHEBI:59097) has functional parent phthalic anhydride (CHEBI:36605)
trimellitic anhydride (CHEBI:53050) has functional parent phthalic anhydride (CHEBI:36605)
Synonyms Sources
1,2-benzenedicarboxylic acid anhydride NIST Chemistry WebBook
1,3-dioxophthalan NIST Chemistry WebBook
1,3-isobenzofurandione NIST Chemistry WebBook
1,3-phthalandione ChemIDplus
o-phthalic acid anhydride NIST Chemistry WebBook
ortho-phthalic acid anhydride ChEBI
phthalic anhydride ChemIDplus
Phthalsäureanhydrid ChEBI
Manual Xref Database
Phthalic_anhydride Wikipedia
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Registry Numbers Types Sources
118515 Beilstein Registry Number Beilstein
118515 Reaxys Registry Number Reaxys
27200 Gmelin Registry Number Gmelin
85-44-9 CAS Registry Number NIST Chemistry WebBook
85-44-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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22883110 PubMed citation Europe PMC
22887795 PubMed citation Europe PMC
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Last Modified
07 March 2019