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:
Molecular Weight:
224.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
241-602-5
Beilstein/REAXYS Number:
5675222
MDL number:
Assay:
97%
Form:
powder
Quality Segment
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).
hcodes
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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