phthalic anhydride (CHEBI:36605)

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ChEBI Name	phthalic anhydride

ChEBI ID	CHEBI:36605

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

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

InChIKey

LGRFSURHDFAFJT-UHFFFAOYSA-N

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.

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)

IUPAC Name

2-benzofuran-1,3-dione

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

Last Modified

07 March 2019