3-Aminobenzenesulfonic acid
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Basic information
- CAS
121-47-1- Standard SMILES
Nc1cccc(S(=O)(=O)O)c1- InChIKey
ZAJAQTYSTDTMCU-UHFFFAOYSA-N- Molecular formula
- C6H7NO3S
- Average molar mass
- 173.19 g/mol
- Monoisotopic mass
- 173.01466408
Overview
3-aminobenzene sulfonic acid appears as white powder. Small colorless needles; toxic.
Names & identifiers
- Preferred name
- 3-Aminobenzenesulfonic acid
- IUPAC
- 3-aminobenzenesulfonic acid
- English name
- Metanilic acid
- Molecular formula
- C6H7NO3S
- Molecular weight
- 173.19
Names & synonyms
Metanilic acid3-AMINOBENZENESULFONIC ACID121-47-1m-Aminobenzenesulfonic acidm-Sulfanilic acidBenzenesulfonic acid, 3-amino-m-Anilinesulfonic acid1-Aminobenzene-3-sulfonic acidKyselina metanilovaAniline-m-sulfonic acid3-AMINOBENZENE SULFONIC ACIDDTXSID6024462
Show more names
ANILINE-3-SULFONIC ACIDphenylsulfamic acidAminobenzenesulfonic acid3-SULFOANILINEaminobenzenesulfonicacidmetanilicMetanilsureMetanilc Acid
OT03NUM20PNSC-4504DTXCID804462CHEBI:27764RefChem:811221204-473-63-Aminobenzenesulphonic acid3-Amino-benzenesulfonic acid
Database identifiers
- CAS
121-47-1- PubChem CID
- 8474
- DTXSID
DTXSID6024462- ChEMBL
CHEMBL1456811- ChEBI
CHEBI:27764- UNII
- OT03NUM20P
- EC Number
- 204-473-6
- Nikkaji
- J2.487B
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Aminobenzenesulfonic Acids
Density1.69 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting PointDecomposes without melting (NTP, 1992)
Vapor Pressure0.0000002 [mmHg]
Physical Description
3-aminobenzene sulfonic acid appears as white powder. Small colorless needles; toxic.
Colorless or white solid; [CAMEO] Light brown powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- Density
- 1.69 · 1.69
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
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: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 3-amino-
Benzenesulfonic acid, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 3-amino- 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: 14-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19037
DOT LabelCorrosive
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes.
Hazards Summary
Increased water consumption (males) and decreased urinary pH (both sexes) observed in 28-day oral study of rats at the highest tested dose (1,000 mg/kg/day); [JECDB] A mild eye irritant; [RTECS] A skin and mucous membrane irritant; [NTP] An eye irritant; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]
Chemistry & industry
Uses & manufacturing
UsesUsed to make sulfa drugs; The sodium salt is used to make azo dyes; [Merck Index] Used to make fine chemicals; [ECHA REACH Registrations]
U.S. Production2023: <50,000 lb
General Manufacturing InformationBenzenesulfonic acid, 3-amino-: ACTIVE
Applications
Uses3-Aminobenzenesulfonic acid was used in the synthesis of cytocompatible sulfonated polyanilines. It was used in fabrication of novel glucose biosensor having large active surface area and excellent conductivity.
UsesMetanilic acid was used in the synthesis of cytocompatible sulfonated polyanilines. It was used in fabrication of novel glucose biosensor having large active surface area and excellent conductivity. It undergoes microbial desulfonation to 3-aminophenol by Pseudomonas sp. strain S-313. It can be used to produce CN3O6(1-)*Cs(1+) and dicesium salt of N-nitrometanilic acid at temperature of 25°C.
General DescriptionWhite powder. Small colorless needles; toxic.
Upstream & downstream products
Upstream raw materials
Related reactions
58 records
Compound notes
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