Basic information
- CAS
3198-30-9- Standard SMILES
O=C([O-])c1ccc(C(=O)[O-])cc1- InChIKey
KKEYFWRCBNTPAC-UHFFFAOYSA-L- Molecular formula
- C8H4O4-2
- Average molar mass
- 164.11 g/mol
- Monoisotopic mass
- 164.0109586
Names & identifiers
- Preferred name
- 1,4-Benzenedicarboxylate
- IUPAC
- terephthalate
- English name
- terephthalate(2-)
- Molecular formula
- C8H4O4-2
- Molecular weight
- 164.11496
Names & synonyms
1,4-BenzenedicarboxylateRefChem:906941Terephthalate3198-30-9terephthalate(2-)1,4-Benzenedicarboxylic acid, ion(2-)benzene-1,4-dicarboxylate1,4-benzene dicarboxylate1,4-Benzenecarboxylic acid1,4-bezenedicarboxylic acidBenzene para dicarboxylic acidCHEBI:30043
Show more names
p-benzenedicarboxylate dianion
DTXSID70185813KKEYFWRCBNTPAC-UHFFFAOYSA-LQ27104106
Database identifiers
- CAS
3198-30-9- PubChem CID
- 154269
- DTXSID
DTXSID70185813- ChEBI
CHEBI:30043- Nikkaji
- J897.174I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- -2
- Complexity
- 158
Physicochemical properties
- Melting point
- 75 · 75-76 °C
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Additional notes
DefinitionChEBI: Terephthalate(2-) is a dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of terephthalic acid. It is a conjugate base of a terephthalate(1-).
Related reactions
10 records
Compound notes
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