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
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 ℃
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
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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