Product Name

  • Name

    5-Sulfoisophthalic acid

  • EINECS 244-912-9
  • CAS No. 22326-31-4
  • Article Data12
  • CAS DataBase
  • Density 1.793g/cm3
  • Solubility
  • Melting Point 258 °C
  • Formula C8H6 O7 S
  • Boiling Point °Cat760mmHg
  • Molecular Weight 246.197
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. A skin and severe eye irritant. When heated to decomposition it emits toxic fumes of SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 22326-31-4 (5-Sulfoisophthalic acid)
  • Hazard Symbols
  • Synonyms Isophthalicacid, 5-sulfo- (6CI,7CI,8CI); 3,5-Dicarboxybenzenesulfonic acid;5-Sulfo-1,3-benzenedicarboxylic acid; 5-Sulfoisophthalic acid; Sulfoisophthalicacid
  • PSA 137.35000
  • LogP 1.41050

5-Sulfoisophthalic acid Chemical Properties

Molecular Formula: C8H6O7S
Molar mass: 246.19 g/mol
EINECS: 244-912-9
Density: 1.793 g/cm3
Index of Refraction: 1.643
Product categories of 5-Sulfobenzene-1,3-dicarboxylic acid (22326-31-4): Organic acids
Structure of 5-Sulfobenzene-1,3-dicarboxylic acid (22326-31-4):

XLogP3-AA: -0.3
H-Bond Donor: 3
H-Bond Acceptor: 7
Systematic Name: 5-Sulfobenzene-1,3-dicarboxylic acid 
SMILES: O=S(=O)(O)c1cc(cc(C(=O)O)c1)C(=O)O 
InChI: InChI=1/C8H6O7S/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) 
InChIKey: CARJPEPCULYFFP-UHFFFAOYAR 
Std. InChI: InChI=1S/C8H6O7S/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) 
Std. InChIKey: CARJPEPCULYFFP-UHFFFAOYSA-N

5-Sulfoisophthalic acid Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,184.
2.    

eye-rbt 250 µg/24H SEV

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,184.
3.    

orl-rat LD50:2600 mg/kg

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,184.

5-Sulfoisophthalic acid Consensus Reports

Reported in EPA TSCA Inventory.

5-Sulfoisophthalic acid Safety Profile

Moderately toxic by ingestion. A skin and severe eye irritant. When heated to decomposition it emits toxic fumes of SOx.
 

Hazard Note: Harmful/Corrosive
Hazard Codes: C

5-Sulfoisophthalic acid Specification

 5-Sulfobenzene-1,3-dicarboxylic acid (22326-31-4) also can be called 5-Sulfoisophthalic acid ; Monopotassium 5-sulfoisophthalate ; 5-Sulphoisophthalic acid ; 5-Sulfo-1,3-benzenedicarboxylic acid ;and ; 1,3-Benzenedicarboxylic acid, 5-sulfo- .

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