4-Sulfophthalic acid

Inquiry

Molecular Formula:

HO3SC6H3-1,2-(CO2H)2

Molecular Weight:

246.19

CAS Number:

89-08-7

Catalog Number:

89-08-7

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

245.98342370 g/mol

Monoisotopic Mass

245.98342370 g/mol

Topological Polar Surface Area

137Å²

Heavy Atom Count

Formal Charge

Complexity

393

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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