Sodium 3-sulfobenzoate

ALDRICH/375411 - 97%

Synonym: 3-Carboxybenzenesulfonic acid sodium salt; 3-Sulfobenzoic acid sodium salt

CAS Number: 17625-03-5
Empirical Formula (Hill Notation): C₇H₅NaO₅S
Molecular Weight: 224.17
EC Number: 241-602-5
MDL Number: MFCD00066378
Linear Formula: NaO₃SC₆H₄CO₂H
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-375411-100G	100 g	$66.90 1/EA	Add To Favorites

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This image depicts SKU: 375411-100G

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
form	powder
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
mp	≥300 °C (lit.)
Quality Level	200
SMILES string	[Na+].OC(=O)c1cccc(c1)S([O-])(=O)=O
solubility	water: soluble 25 mg/mL, clear, colorless

Application:	Sodium 3-sulfobenzoate has been used in the synthesis of ionic liquid, 1-hexyl-3-propanenitrileimidazolium sulfobenzoate (SBA).
Application:	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).
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.
Packaging:	100 g in poly bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319 - H335
Precautionary statements	P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	97%
mp	≥300 °C (lit.)
UNSPSC	12352100

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