4-Sulfophthalic acid
Product Information
Molecular Formula
HO3SC6H3-1,2-(CO2H)2
Molecular Weight
246.19
Description
4-Sulfophthalic acid is an indispensable compound in the field of biomedicine and possesses remarkable acidic characteristics. It serves as a pivotal constituent during the synthesis of diverse pharmaceuticals and their intermediates. Efficaciously participating as a reactant, this compound contributes to the fabrication of medications aimed at combatting afflictions including, but not limited to, malignancies, cardiovascular anomalies, and bacterial contagions.
Synonyms
1,2-Benzenedicarboxylic acid, 4-sulfo-; 4-Sulphophthalic acid; Phthalic acid, 4-sulfo-; 4-Sulfophthalic Acid (contains 3-Sulfophthalic Acid) (ca. 50% in Water); 4-Sulfophthalic acid solution
IUPAC Name
4-sulfophthalic acid
SMILES
C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H6O7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChI Key
WNKQDGLSQUASME-UHFFFAOYSA-N
Flash Point
Not applicable
Density
1.292 g/mL at 25 °C
Application
Used to remove hexavalent chromium from wool dyeing effluents.
Refractive Index
n20/D 1.447
Safety Information
Hazards
H314
Precautionary Statement
P280 - P305 + P351 + P338 - P310
Computed Properties
XLogP3
-0.3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
245.98342370 g/mol
Monoisotopic Mass
245.98342370 g/mol
Topological Polar Surface Area
137Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
393
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
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113621971-A | Multifunctional environment-friendly acid pickling additive and preparation method thereof | 2021-08-17 |
| CN-113433172-A | Preparation method of novel ammonia gas sensor based on MOFs (metal-organic frameworks) material | 2021-06-25 |
| JP-2021091228-A | Polyester film | 2021-02-24 |
| US-11169461-B1 | Toner surface additive | 2020-09-24 |
| WO-2022049938-A1 | Aqueous resin composition, coating agent, and adhesive | 2020-09-01 |
| WO-2022049940-A1 | Aqueous resin composition and adhesive | 2020-09-01 |
| US-2022055378-A1 | Inkjet ink and inkjet textile printing method | 2020-08-18 |
| WO-2022030345-A1 | Aqueous pigment dispersion for producing water-based ink-jet ink for plastic substrate, water-based ink-jet ink, and printed matter | 2020-08-04 |
| WO-2022019287-A1 | Composition for forming coating film for foreign substance removal | 2020-07-21 |
| JP-2022022516-A | Aqueous resin composition for concrete protection | 2020-06-25 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22412403 | 2012-03-01 | Poly[[diaqua-(1,10-phenanthroline-κN,N')(μ(3)-4-sulfonato-benzene-1,2-dicarboxyl-ato-κO:O,O:O)dysprosium(III)] dihydrate] | Acta crystallographica. Section E, Structure reports online |
| 22346886 | 2012-02-01 | Poly[[diaqua-(1,10-phenanthroline-κN,N')(μ(3)-4-sulfonato-benzene-1,2-di-car-boxyl-ato-κO:O,O:O)erbium(III)] dihydrate] | Acta crystallographica. Section E, Structure reports online |
| 21584326 | 2011-06-21 | Separation of isomers of sulfophthalic acid by guest induced host framework formation with 4,4'-bipyridine | Chemical communications (Cambridge, England) |
| 19570708 | 2009-09-15 | UV-vis absorption properties of polyazomethine in base and protonated with 1,2-(di-2-ethylhexyl)ester of 4-sulfophthalic acid form | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
| 12214685 | 2002-08-09 | Preparative separation of isomeric sulfophthalic acids by conventional and pH-zone-refining counter-current chromatography | Journal of chromatography. A |
| 11770767 | 2001-12-01 | Concerted chemical and microbial degradation of sulfophthalimides formed from sulfophthalocyanine dyes by white-rot fungi | Environmental science & technology |
