1,3-Benzenedicarboxylic acid

Product Information

Molecular Formula:
C8H5NaO7S
Molecular Weight:
268.18
Description
5-Sulfoisophthalic acid sodium salt is a sulfonate carboxylate ligand which can be used in a variety of applications such as catalysis, gas storage, magnetic materials, and luminescence.
Synonyms
5-Sodiosulfoisophthalic acid,5-Sulfoisophthalic acid monosodium salt,Monosodium 5-sulfoisophthalate,Sodium 3,5-dicarboxybenzene-1-sulfonate,Sodium 5-sulfoisophthalate
IUPAC Name
sodium3,5-dicarboxybenzenesulfonate
Canonical SMILES
C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O.[Na+]
InChI
InChI=1S/C8H6O7S.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q+1/p-1
InChI Key
YXTFRJVQOWZDPP-UHFFFAOYSA-M
Purity
0.95

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
267.96536795 g/mol
Monoisotopic Mass
267.96536795 g/mol
Topological Polar Surface Area
140Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
377
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114057612-A Method for preparing diethylene glycol isophthalate-5-sodium sulfonate by using isophthalic acid-5-sodium sulfonate direct esterification method 2021-12-27
CN-114163625-A Cationic dyeable polyester and preparation method thereof 2021-11-23
CN-113980318-A Window film 2021-11-10
CN-114163358-A Process for producing 5-sodium sulfoisophthalate 2021-11-08
CN-114057613-A Treatment method of waste liquid from production of m-phthalic acid-5-sodium sulfonate 2021-11-03
CN-216024749-U Feeding device for producing m-phthalic acid-5-sodium sulfonate 2021-11-02
CN-114050238-A Composite graphite cladding product, graphite composite material, and preparation method and application thereof 2021-10-25
CN-113563698-A Reactive functional polyester master batch and preparation method thereof 2021-09-23
CN-113563698-B Reactive functional polyester master batch and preparation method thereof 2021-09-23
CN-215654804-U Novel m-phthalic acid-5-sodium sulfonate production stirring device 2021-06-02
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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