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
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 |
