Sodium 2-(sulfooxy)benzoate hydrate (1:1:2)

Basic Information

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CAS Number

1300-61-4

Molecular Formula

C7H9NaO8S

Molecular Weight

276.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1S(=O)(=O)O)C(=O)[O-])O.O.O.[Na+]

InChI

InChI=1S/C7H6O6S.Na.2H2O/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12;;;/h1-4H,(H,8,9)(H,10,11,12);;2*1H2/q;+1;;/p-1

InChIKey

SZEQIYURCKBEDK-UHFFFAOYSA-M

LogP

0.18390

Complexity

321

Synonyms & References

English

Benzoic acid, 2-hydroxy-5-sulfo-, sodium salt, hydrate (1:1:2)
SODIUM SULFOSALICYLATE DIHYDRATE
BAA30061
Sodium 5-sulphosalicylate dihydrate
1300-61-4
sodium;2-hydroxy-5-sulfobenzoate;dihydrate
AS-80155
Benzoic acid,2-hydroxy-5-sulfo-, sodium salt, hydrate (1:1:2)
Sodium sulfosalicylate
sodium,2-sulfooxybenzoate,dihydrate
Sodium salicylsulfonate dihydrate
SodiuM 5-sulfosalicylate dihydrate
5-Sulfosalicylic acid sodiumsalt dihydrate
Sodium 2-hydroxybenzoic sulfonate dihydrate
2-Hydroxy-5-sulfobenzoic acid monosodium salt dihydrate

MDL Number

MFCD03470803

FAQ

What are the physical and chemical properties of Sodium 2-(sulfooxy)benzoate hydrate (1:1:2) (CAS: 1300-61-4)?

Sodium 2-(sulfooxy)benzoate hydrate (1:1:2) is a white crystalline solid with a molecular weight of approximately 306.24 g/mol. It has a solubility of about 20 g/L in water. The compound is moderately reactive, particularly towards bases and acids. It can undergo hydrolysis and esterification reactions under certain conditions.

How is Sodium 2-(sulfooxy)benzoate hydrate (1:1:2) (CAS: 1300-61-4) typically synthesized?

Sodium 2-(sulfooxy)benzoate hydrate (1:1:2) can be synthesized by the reaction of benzoic acid with sulfur trioxide in the presence of sodium hydroxide. The process involves the formation of a sulfinic acid ester followed by neutralization with sodium hydroxide to form the sodium salt. The hydrate form is obtained by crystallization from a suitable solvent.

What industries use Sodium 2-(sulfooxy)benzoate hydrate (1:1:2) (CAS: 1300-61-4)?

Sodium 2-(sulfooxy)benzoate hydrate (1:1:2) is primarily used in the pharmaceutical industry for the synthesis of certain active pharmaceutical ingredients. It also finds applications in the polymer industry for stabilizing polymer materials and in the production of certain sensors and semiconductors.

What precautions should be taken when handling Sodium 2-(sulfooxy)benzoate hydrate (1:1:2) (CAS: 1300-61-4)?

When handling Sodium 2-(sulfooxy)benzoate hydrate (1:1:2), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or fume hood. Spills should be carefully cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS) for specific handling and disposal instructions.