3-Aminobenzenesulfonic acid

HCID 8474CAS 121-47-1

Substructure search Find similar structures

Basic information

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

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

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 properties

XLogP: -0.2
Topological polar surface area: 88.8 Å²
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 · 2 items

3-aminobenzene sulfonic acid appears as white powder. Small colorless needles; toxic.

Colorless or white solid; [CAMEO] Light brown powder; [Sigma-Aldrich MSDS]

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 3 items

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 · 1 item

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]

Reactive GroupAmines, Phosphines, and Pyridines

Safety & protection

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)