Skip to the beginning of the images gallery

4-Sulfophthalic acid trisodium salt - technical grade, high purity , CAS No.3325-08-4

COA

Grade & Purity:

technical grade

Cas Number: 3325-08-4
Molecular Weight: 312.14
MDL number: MFCD00064384
PubChem CID: 13685749

In stock

Item Number

S476816

Grouped product items
SKU	Size	Availability	Price	Qty
S476816-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$321.90

Basic Description

Synonyms	Sodium 4-sulfonatophthalate \| 4-Sulfophthalic acid trisodium salt \| 4-SULFOPHTHALIC ACID, TRISODIUM SALT \| J-019111 \| DTXSID00546731 \| 4-Sulfophthalic acid,trisodium salt \| trisodium;4-sulfonatophthalate \| 4-Sulfophthalic acid trisodium salt, technical gr
Specifications & Purity	technical grade
Grade	technical grade
Product Description	Description 4-Sulfophthalic acid trisodium salt is formed as byproduct during the preparation of D&C Yellow No.10.4-Sulfophthalic acid trisodium salt has been used in the preparative separation of 3- and 4-sulfophthalic acid from a mixture by high-speed counter-current chromatography.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonic acids and derivatives
      - Level5 Sulfobenzoic acids
        Level6 4-sulfobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Sulfobenzoic acids
Direct Parent	4-sulfobenzoic acids
Alternative Parents	3-sulfobenzoic acids Benzoic acids Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Sulfonyls Organosulfonic acids Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-sulfobenzoic acid - 4-sulfobenzoic acid - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid salt - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic salt - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 4-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 4-position of the benzene group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	trisodium;4-sulfonatophthalate
INCHI	InChI=1S/C8H6O7S.3Na/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);;;/q;3*+1/p-3
InChIKey	IWFDIIDATFUMQH-UHFFFAOYSA-K
Smiles	C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
Isomeric SMILES	C1=CC(=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
PubChem CID	13685749
Molecular Weight	312.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Molecular Weight	312.140 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	311.929 Da
Monoisotopic Mass	311.929 Da
Topological Polar Surface Area	146.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	369.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	4

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration