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Reference substances

Currently viewing:
IUPAC name:
terephthalic acid

Inventory

EC number:
202-830-0
EC name:
Terephthalic acid
CAS number:
100-21-0
CAS number:
100-21-0
Synonyms
Names:
1,4-Benzenedicarboxylic acid
TPA benzene-1,4-dicarboxylic acid para-phthalic acid
Terephthalate para-phthalic acid
p-benzenedicarboxylic acid
p-phthalic acid
Identifier:
IUPAC name
1,4-Benzenedicarboxylic acid p-Phtalic acid
Identifier:
IUPAC name
1,4-benzenedicarbossilic acid
Identifier:
IUPAC name
Benzene-1,4-dicarboxylic acid
Identifier:
IUPAC name
Terephthalic Acid
Identifier:
IUPAC name
Terephthalic acid
Identifier:
IUPAC name
benzene-1,4-dicarboxylic acid
Identifier:
IUPAC name
benzene-1,4-dicarboxylic acid
Identifier:
IUPAC name
terephthalic acid
Identifier:
ChemSpider ID
CSID:7208
Identifier:
common name
1,4-dicarboxybenzene
Identifier:
common name
benzene-1,4-dicarboxylic acid
Identifier:
common name
p-Benzenedicarboxylic acid
Identifier:
common name
p-Phthalic acid
Identifier:
PubChem
7489
Identifier:
other: Molecular formula
C8H6O4
Identifier:
other: InChl
1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Identifier:
other: SMILES notation
C1=CC(=CC=C1C(=O)O)C(=O)O
Identifier:
other: SMILES notation
C1=CC(=CC=C1C(=O)[O-])C(=O)[O-]
Identifier:
other: Molecular formula
C8H6O4
Identifier:
other: InChl
InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Identifier:
other: InChl
InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Identifier:
other: InChl
KKEYFWRCBNTPAC-UHFFFAOYSA-L
Identifier:
other: SMILES notation
O=C(O)C1=CC=C(C(O)=O)C=C1
Identifier:
other: SMILES notation
O=C(O)c1ccc(C(=O)O)cc1
Identifier:
other: SMILES notation
c1(C(O)=O)ccc(C(O)=O)cc1
Identifier:
other: SMILES notation
c1cc(ccc1C(=O)O)C(=O)O
terephthalic acid

Molecular and structural information

Molecular formula:
C8H6O4
Molecular weight:
166.131
SMILES notation:
OC(=O)c1ccc(cc1)C(=O)O
InChl:
InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Structural formula:
Chemical structure

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