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I19209

Sigma-Aldrich

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:
121-91-5
Molecular Weight:
166.13
Beilstein:
1909332
EC Number:
204-506-4
MDL number:
MFCD00002516
UNSPSC Code:
12352100
PubChem Substance ID:
24895954
NACRES:
NA.22

Quality Level

100

Assay

99%

autoignition temp.

1198 °F

mp

341-343 °C (lit.)

SMILES string

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

InChI

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

InChI key

QQVIHTHCMHWDBS-UHFFFAOYSA-N

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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 Code

13 - Non Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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
Jörg Lincke et al.
Inorganic chemistry, 51(14), 7579-7586 (2012-07-04)
An isomorphous series of 10 microporous copper-based metal-organic frameworks (MOFs) with the general formulas (∞)(3)[{Cu(3)(μ(3)-OH)(X)}(4){Cu(2)(H(2)O)(2)}(3)(H-R-trz-ia)(12)] (R = H, CH(3), Ph; X(2-) = SO(4)(2-), SeO(4)(2-), 2 NO(3)(2-) (1-8)) and (∞)(3)[{Cu(3)(μ(3)-OH)(X)}(8){Cu(2)(H(2)O)(2)}(6)(H-3py-trz-ia)(24)Cu(6)]X(3) (R = 3py; X(2-) = SO(4)(2-), SeO(4)(2-) (9, 10)) is presented
Preparation and characterization of tetragonal zirconium oxide nanocrystals from isophthalic acid-zirconium (IV) nanocomposite as a new precursor
Ranjbar M, et al.
International Journal of Nanoscience, 8(4), 191-196 (2012)
Taleb H Al-Tel et al.
Journal of medicinal chemistry, 52(20), 6484-6488 (2009-10-01)
We have identified small-molecule dibenzazepine inhibitors of beta-secretase (BACE1). These BACE1 inhibitors possess two key salient features. The first is a seven-membered heterocyclic ring fused to two aromatic rings representing the P3-P2 residues. The second is an amide and/or amide
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