5-Sulfoisophthalic acid monosodium salt

Reported in EPA TSCA Inventory.

The 3,5-Dicarboxybenzenesulfonic acid, sodium salt is an organic compound with the formula C₈H₅NaO₇S. The IUPAC name of this chemical is sodium 3,5-dicarboxybenzenesulfonate. With the CAS registry number 6362-79-4, it is also named as 1,3-Benzenedicarboxylic acid. The product's categories are Carboxylic Acid Monomers; Monomers; Polymer Science. Besides, it is a white fine crystalline powder, which should be stored in a dark cool and dry place. It is used as a medicine, pesticide, polyester intermediates and modifiers.

Physical properties about 3,5-Dicarboxybenzenesulfonic acid, sodium salt are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): -4.59; (3)ACD/LogD (pH 7.4): -4.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 115.35 Å².

When you are using this chemical, please be cautious about it as the following:
It can causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and avoid contact with eyes. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S([O-])(=O)c1cc(cc(C(=O)O)c1)C(=O)O
(2)InChI: InChI=1/C8H6O7S.Na/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);/q;+1/p-1
(3)InChIKey: YXTFRJVQOWZDPP-REWHXWOFAN
(4)Std. InChI: InChI=1S/C8H6O7S.Na/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);/q;+1/p-1
(5)Std. InChIKey: YXTFRJVQOWZDPP-UHFFFAOYSA-M

The toxicity data is as follows: