Sodium benzenesulfonate

Sodium benzenesulfonate
Identifiers
CAS Number	515-42-4;
3D model (JSmol)	Interactive image;
ChemSpider	10139;
DrugBank	DB7350000;
ECHA InfoCard	100.007.454
EC Number	208-198-2;
PubChem CID	517327;
UNII	K5RM14AZHX;
CompTox Dashboard (EPA)	DTXSID4060157 ;
	InChI InChI=1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1 Key: MZSDGDXXBZSFTG-UHFFFAOYSA-M;
	SMILES C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+];
Properties
Chemical formula	C6H5NaO3S
Molar mass	180.15 g·mol−1
Appearance	white solid
Melting point	450 °C (842 °F; 723 K) decomposition
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Sodium benzenesulfonate is an organic compound with the formula C₆H₅SO₃Na. It is white, water-soluble solid, It is produced by the neutralization benzenesulfonic acid with sodium hydroxide. It is also a common ingredient in some detergents. The compound typically crystallizes from water as the monohydrate.^[1]

Heating this salt in strong base results in desulfonation, giving, after acid workup, phenol^[2] This reaction was at one time, the principal route to phenol.

[1]

[2]

Identifiers

CAS Number	515-42-4
3D model (JSmol)	Interactive image
ChemSpider	10139
DrugBank	DB7350000
ECHA InfoCard	100.007.454
EC Number	208-198-2
PubChem CID	517327
UNII	K5RM14AZHX
CompTox Dashboard (EPA)	DTXSID4060157
InChI InChI=1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1 Key: MZSDGDXXBZSFTG-UHFFFAOYSA-M
SMILES C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
Properties
Chemical formula	C₆H₅NaO₃S
Molar mass	180.15 g·mol⁻¹
Appearance	white solid
Melting point	450 °C (842 °F; 723 K) decomposition
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

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