Basic information
- CAS
515-74-2- Standard SMILES
Nc1ccc(S(=O)(=O)[O-])cc1.[Na+]- InChIKey
KSVSZLXDULFGDQ-UHFFFAOYSA-M- Molecular formula
- C6H6NNaO3S
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 194.99660833
Names & identifiers
- Preferred name
- Sodium sulfanilate
- IUPAC
- sodium 4-aminobenzenesulfonate
- English name
- 4-Amino-benzenesulfonic acid monosodium salt
- Molecular formula
- C6H8NNaO3S
- Molecular weight
- 197.18
Names & synonyms
sodium 4-aminobenzenesulfonateSodium sulfanilateSodium sulphanilate4-Amino-benzenesulfonic acid monosodium saltBenzenesulfonic acid, 4-amino-, monosodium saltEINECS 208-208-5Sulfanilic acid monosodium saltCCRIS 7446DTXSID5029184Sulfanilic Acid Sodium Salt4-Aminobenzenesulfonic acid, sodium salt4-Aminobenzenesulfonic acid, monosodium salt
Show more names
Sodium sulfanylatesodiumsulphanilateSulphanilate SodiumSODIUM ANILINESULFONATEAMino benzene sulfonate4-AMPYRONE 99% HIGH GRADESulfanic acid sodium salt
9YJ2Q81720DTXCID109184EC 208-208-5Benzenesulfonic acid, 4-amino-, sodium salt (1:1)4SulfoanilinNapSulfanilsaeure NaSulfanilsaure Na SalzRefChem:887894
Database identifiers
- CAS
515-74-2、6106-22-5- PubChem CID
- 23664644
- DTXSID
DTXSID5029184- ChEMBL
CHEMBL3183582- UNII
- 9YJ2Q81720
- EC Number
- 208-208-5、633-083-2
- Nikkaji
- J6.299E
Properties
Computed structural properties
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids
CosmeticsHair dyeing; Antioxidant
Physical Description
Dry Powder; Liquid
Solid; [ECHA REACH Registrations] Dihydrate: White to beige crystalline solid; [Mallinckrodt Baker MSDS]
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Solid
- color
- Off-white to brown
- Cosmetics Ingredients Functions
- HAIR DYEINGANTIOXIDANT
- InChI
- InChI=1S/C6H7NO3S.Na.H/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4H,7H2,(H,8,9,10);;
- InChIKey
- SKPUWZMHPCQXPO-UHFFFAOYSA-N
- SMILES
- S(C1C=CC(N)=CC=1)(O)(=O)=O.[NaH]
- CAS DataBase Reference
- 515 · 515-74-2(CAS DataBase Reference)
- EWG's Food Scores
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
This chemical does not meet GHS hazard criteria for 95.8% (136 of 142) of all reports.
Not Classified
Aggregated GHS information provided per 142 reports by companies from 6 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 17.4% (8 of 46) of reports.
Warning
H315 (82.6%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 4-amino-, monosodium salt
Benzenesulfonic acid, 4-amino-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 4-amino-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 30-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14542
Benzenesulfonic acid, 4-amino-, monosodium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Sulfanilic acid and its sodium salt: Human health tier II assessment
Hazards SummaryAn eye and respiratory tract irritant; May cause skin sensitization; [ECHA REACH Registrations] Dihydrate: May cause eye irritation; [Mallinckrodt Baker MSDS] See Sulfanilic acid.
Hazard Classes and Categories
Not Classified
Skin Irrit. 2 (82.6%)
Skin sensitisation - category 1
Toxicology
Chemistry & industry
Uses & manufacturing
UsesUsed as a chemical intermediate for dyes, pharmaceuticals, and other organic syntheses; [IUCLID] Used as an intermediate; [ECHA REACH Registrations]
U.S. Production2023: 1,300,000 lb
Industry UsesBrightener
Use ClassificationCosmetics -> Hair dyeing; Antioxidant
General Manufacturing Information
Paper Manufacturing
Benzenesulfonic acid, 4-amino-, sodium salt (1:1): ACTIVE
Applications
Uses4-Amino-benzenesulfonic acid monosodium salt can be used as a fungicide. It is mainly used to control the rust of wheat and the rust of other crops.It can also be used for the prevention and control of wheat rust, dilute the original fungicide with 250 times of liquid to spray the occurrence of the disease points and range.
UsesSodium Sulphanilate is a biochemical indice of inflammation-associated acute-phase response[1].
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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