Basic information
- CAS
515-42-4- Standard SMILES
O=S(=O)([O-])c1ccccc1.[Na+]- InChIKey
MZSDGDXXBZSFTG-UHFFFAOYSA-M- Molecular formula
- C6H5NaO3S
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 179.9857093
Overview
See also: Benzenesulfonic acid, alkyl derivs., sodium salts (annotation moved to); Sodium N-alkylbenzenesulfonate (annotation moved to).
Names & identifiers
- Preferred name
- Sodium benzenesulfonate
- IUPAC
- sodium benzenesulfonate
- English name
- Benzenesulfonic acid sodium salt
- Molecular formula
- C6H7NaO3S
- Molecular weight
- 182.17
Names & synonyms
Sodium benzenesulfonate515-42-4Benzenesulfonic acid, sodium saltDispersant GNSodium phenylsulfonateSodium benzene sulfonateSodium benzene monosulfonateSODIUM BENZOSULFONATEK5RM14AZHXSUPRAGIL GNBenzenesulfonic acid, sodium salt (1:1)DTXSID4060157
Show more names
PhSO2NaBenzenesulfonicsodiumbenzosulfonatesodiumbenzenemonosulfatePhSO3NaBenzenesuLdispersantgnSodium sulfobenzenesodiumphenylsulfonate
NSC-146RefChem:887291DTXCID9041027208-198-2Benzenesulfonic acid sodium saltsodium;benzenesulfonateBenzenesulfonate (sodium)C6H5NaO3S
Database identifiers
- CAS
515-42-4- PubChem CID
- 517327
- DTXSID
DTXSID4060157- UNII
- K5RM14AZHX
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
Color/Form
CRYSTALS
NEEDLES OR LEAFLETS FROM WATER
SolubilityVERY SOL IN HOT WATER; SLIGHTLY SOL IN HOT ALCOHOL
Physical DescriptionSolid; [HSDB] White powder; [MSDSonline]
Other Experimental PropertiesDECOMP AT 450 °C
Physicochemical properties
- Melting point
- 450 °C · 450 °C
- Density
- 1.124 g/mL · 1.124 g/mL at 25 °C (lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- water: soluble
- form
- Crystalline Powder
- color
- White to off-white
- Water Solubility
- soluble
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 96 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, sodium salt
Status: Active Update: 05-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16461
Benzenesulfonic acid, sodium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryOral LD50 (mouse) = 9378 mg/kg; [RTECS] A skin irritant in guinea pig testing; No teratogenic effects in pregnant mice receiving doses up to the fatal dose of 300 mg/kg; [HSDB]
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Toxicology
Non-Human Toxicity Excerpts
ACUTE EXPOSURE PRODUCED ONLY SLIGHT IRRITATION TO GUINEA PIG SKIN. /FROM TABLE/
NA ALKYLBENZENESULFONATE ADMIN IN DRINKING WATER (0.07, 0.2 & 0.6%) OR IN FEED (0.6 & 1.8%) TO MICE & RATS FOR 9 MO DECR LIVER WT, HEPATIC LEVELS OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE, LACTATE DEHYDROGENASE & GLUTAMIC-PYRUVIC TRANSAMINASE.
Chemistry & industry
Pharmacology
Metabolism/MetabolitesP TESTOSTERONI H-8 UTILIZES AS SOLE CARBON SOURCE, THE SODIUM SALTS OF BENZENESULFONATE. MEDIUM MUST BE HEAVILY BUFFERED TO PERMIT EXTENSIVE GROWTH.
Absorption, Distribution and Excretion
ABSORBED SULFONATES ARE QUICKLY DISTRIBUTED THROUGH LIVING SYSTEMS, BUT ALSO READILY EXCRETED. ...SULFONATES WILL BIND TO PROTEINS & APPEAR TO TRANSLOCATE K+ /POTASSIUM IONS/ & NO3- /NITRATE IONS/ FROM CELLULAR TO INTERSTITIAL FLUID AS OCCURS...WITH SODIUM...BENZENESULFONATE.
EXCRETED AS SODIUM BENZENESULFONATE. /FROM TABLE/
Uses & manufacturing
Uses
Used as chemical intermediate, detergent, disinfectant, and anionic surfactant; [HSDB]
Using Disinfectants or Biocides [Category: Clean]
CHEM INT & DETERGENT
DISINFECTANT & ANIONIC SURFACTANT
General Manufacturing Information
Benzenesulfonic acid, sodium salt (1:1): ACTIVE
METHOD WAS DEVELOPED FOR REMOVING PHENOL & THIOPHENOL FROM WASTE GASES GIVEN OFF DURING MELTING OF SODIUM BENZENESULFONATE.
Applications
UsesSodium benzenesulfonate has been used in Raman spectroscopic determination of molecular structural features in sulfonated polystyrene resins. It was used as electrolyte in formation of polypyrrole coatings with varying surface morphology on stainless steel. It was used in the synthesis of 1-butyl-3-propanenitrile imidazolium benzenesulfonate.
Upstream & downstream products
Downstream products
Related reactions
15 records
Compound notes
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