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Merck
CN

I19209

Isophthalic acid

99%

Synonym(s):

Benzene-1,3-dicarboxylic acid

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About This Item

Linear Formula:
C6H4-1,3-(CO2H)2
CAS Number:
Molecular Weight:
166.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-506-4
Beilstein/REAXYS Number:
1909332
MDL number:
Assay:
99%
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InChI key

QQVIHTHCMHWDBS-UHFFFAOYSA-N

InChI

1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

SMILES string

OC(=O)c1cccc(c1)C(O)=O

assay

99%

autoignition temp.

1198 °F

mp

341-343 °C (lit.)

Quality Level

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Application

Isophthalic acid can be used as a reactant to prepare:
  • Poly(m-phenyleneisophthalamide) by polycondensation with m-phenylenediamine via thermal solid-phase polymerization reaction.

It can also be used as a ligand to synthesize:
  • Metal coordination polymers by hydrothermal and sonochemical process.
  • Isophthalic acid-zirconium(IV) nanocomposite, which is used as a precursor to prepare crystalline tetragonal ZrO2 via thermal decomposition method.

Storage Class

13 - Non Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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Suman Kalyan Pal et al.
Dalton transactions (Cambridge, England : 2003), (45)(45), 10021-10031 (2009-11-12)
Pyrene chromophores carrying different rigid rod spacer groups (ethynylene, ethynylene-phenylene-ethynylene, and ethynylene-bicyclo[2.2.2]octylene-ethynylene) and bound to TiO2 nanostructured materials via an isophthalic acid (Ipa) anchor group have been investigated using quantum chemical calculations in order to elucidate structural and electronic properties
Yue-Xiu Si et al.
International journal of biological macromolecules, 48(4), 700-704 (2011-03-05)
Using inhibition kinetics and computational simulation, we studied the reversible inhibition of tyrosinase by isophthalic acid (IPA). IPA inhibited tyrosinase in a complex manner with K(i)=17.8 ± 1.8mM. Measurements of intrinsic and ANS-binding fluorescence showed that IPA induced no changes
Bo Xiao et al.
Nature chemistry, 1(4), 289-294 (2009-07-01)
Metal organic frameworks (MOFs) are among the most exciting materials discovered recently, attracting particular attention for their gas-adsorption and -storage properties. Certain MOFs show considerable structural flexibility in response to various stimuli. Although there are several examples of 'breathing' MOFs
Sonochemical synthesis of two nano-sized nickel (II) coordination polymers derived from flexible bis (benzimidazole) and isophthalic acid ligands
Li Jun-Xuan, et al.
Polyhedron, 160, 92-100 (2019)
Jarrod F Eubank et al.
Journal of the American Chemical Society, 133(44), 17532-17535 (2011-06-17)
A new pillaring strategy, based on a ligand-to-axial approach that combines the two previous common techniques, axial-to-axial and ligand-to-ligand, and permits design, access, and construction of higher dimensional MOFs, is introduced and validated. Trigonal heterofunctional ligands, in this case isophthalic

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