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Cas Database |
| Name |
5-Sulfoisophthalic acid |
EINECS | 244-912-9 |
| CAS No. | 22326-31-4 | Density | 1.793g/cm3 |
| PSA | 137.35000 | LogP | 1.41050 |
| Solubility | N/A | Melting Point |
258 °C |
| Formula | C8H6 O7 S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 246.197 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. A skin and severe eye irritant. When heated to decomposition it emits toxic fumes of SOx. | Risk Codes | N/A |
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
Isophthalicacid, 5-sulfo- (6CI,7CI,8CI); 3,5-Dicarboxybenzenesulfonic acid;5-Sulfo-1,3-benzenedicarboxylic acid; 5-Sulfoisophthalic acid; Sulfoisophthalicacid |
Article Data | 12 |
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.gif){kind=small}
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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