CHEBI:15702 - terephthalic acid

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ChEBI Name terephthalic acid
ChEBI ID CHEBI:15702
Definition A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:9452, CHEBI:26870
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Formula C8H6O4
Net Charge 0
Average Mass 166.13084
Monoisotopic Mass 166.027
InChI InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey KKEYFWRCBNTPAC-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(cc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing terephthalic acid (CHEBI:15702) is a benzenedicarboxylic acid (CHEBI:26094)
terephthalic acid (CHEBI:15702) is conjugate acid of terephthalate(1−) (CHEBI:30801)
Incoming 4-[(2-hydroxyethoxy)carbonyl]benzoic acid (CHEBI:131735) has functional parent terephthalic acid (CHEBI:15702)
4-carbamoylbenzoic acid (CHEBI:50738) has functional parent terephthalic acid (CHEBI:15702)
tamibarotene (CHEBI:32181) has functional parent terephthalic acid (CHEBI:15702)
terephthalamide (CHEBI:38802) has functional parent terephthalic acid (CHEBI:15702)
terephthalate(1−) (CHEBI:30801) is conjugate base of terephthalic acid (CHEBI:15702)
IUPAC Name
benzene-1,4-dicarboxylic acid
Synonyms Sources
1,4-Benzenedicarboxylic acid KEGG COMPOUND
p-benzenedicarboxylic acid NIST Chemistry WebBook
para-benzenedicarboxylic acid ChEBI
Terephthalic acid KEGG COMPOUND
terephthalic acid IUPAC
TPA NIST Chemistry WebBook
Manual Xrefs Databases
C06337 KEGG COMPOUND
HMDB0002428 HMDB
TEREPHTHALATE MetaCyc
Terephthalic_acid Wikipedia
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Registry Numbers Types Sources
100-21-0 CAS Registry Number KEGG COMPOUND
100-21-0 CAS Registry Number ChemIDplus
100-21-0 CAS Registry Number NIST Chemistry WebBook
1909333 Reaxys Registry Number Reaxys
1909333 Beilstein Registry Number Beilstein
50561 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
24101250 PubMed citation Europe PMC
24473302 PubMed citation Europe PMC
24527803 PubMed citation Europe PMC
Last Modified
14 April 2016