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375411

Sodium 3-sulfobenzoate

97%

Synonym(s):

3-Carboxybenzenesulfonic acid sodium salt, 3-Sulfobenzoic acid sodium salt

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About This Item

Linear Formula:
NaO3SC6H4CO2H
CAS Number:
17625-03-5
Molecular Weight:
224.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24863386
EC Number:
241-602-5
Beilstein/REAXYS Number:
5675222
MDL number:
MFCD00066378
Assay:
97%
Form:
powder
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Quality Segment

200

assay

97%

form

powder

mp

≥300 °C (lit.)

solubility

water: soluble 25 mg/mL, clear, colorless

functional group

sulfonic acid

SMILES string

[Na+].OC(=O)c1cccc(c1)S([O-])(=O)=O

InChI

1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1

InChI key

KQHKITXZJDOIOD-UHFFFAOYSA-M

General description

Sodium 3-sulfobenzoate is the sodium salt of 3-sulfobenzoic acid. Steady state method has been proposed for the evaluation of solubility of its binary solvent mixtures at high temperatures.

Application

Sodium 3-sulfobenzoate has been used in the synthesis of ionic liquid, 1-hexyl-3-propanenitrileimidazolium sulfobenzoate (SBA).
Sodium 3-sulfobenzoate is suitable for use in the preparation of {[Ce(3-SBH)(H2O)4]2CB6}·4NO3 and {[Nd(3-SBH)(H2O)4]2CB6}·4NO3 [SBH=sulfobenzoic acid, CB6=cucurbit[6]uril] complexes. It may be used in the preparation of 4,4′-(ethene-1,2-diyl)dipyridinium bis(3-carboxybenzenesulfonate).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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