HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Amino-benzolsulfonsäure
3-AMINOBENZENESULFONIC ACID · ANILINE-3-SULFONIC ACID · phenylsulfamic acid · Aminobenzenesulfonic acid · 3-SULFOANILINE · aminobenzenesulfonicacid · metanilic · Metanilsure
Identifikatoren & physikalische Daten
| CAS No. | 121-47-1 |
|---|---|
| Summenformel | C6H7NO3S |
| Durchschnittliche Molmasse | 173,19 g/mol |
| Monoisotopische Masse | 173,01466408 g/mol |
| SMILES | Nc1cccc(S(=O)(=O)O)c1 |
| InChIKey | ZAJAQTYSTDTMCU-UHFFFAOYSA-N |
| PubChem CID | 8474 |
| ChEMBL | CHEMBL1456811 |
| ChEBI | CHEBI:27764 |
| EC No. | 204-473-6 |
| DTXSID | DTXSID6024462 |
| Lokaler Name | 3-Amino-benzolsulfonsäure |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 218 |
| Stoffklassen | Nitrogen Compounds -> Aminobenzenesulfonic Acids |
| Dichte | 1.69 (NTP, 1992) - Denser than waterwill sink |
| Löslichkeit | less than 1 mg/mL at 72 °F (NTP, 1992)ethanol: very slightly soluble(lit.) |
| Schmelzpunkt | Decomposes without melting (NTP, 1992)>300 °C (lit.) |
| Dampfdruck | 0.0000002 [mmHg] |
| Physical Description | 3-aminobenzene sulfonic acid appears as white powder. Small colorless needlestoxic.Colorless or white solid[CAMEO] Light brown powder[Sigma-Aldrich MSDS] |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.73(at 25℃) |
| Farbe | White to grayish-beige |
| Merck | 14,5927 |
| BRN | 473264 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, acids. |
| InChI | 1S/C6H7NO3S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) |
| InChIKey | ZAJAQTYSTDTMCU-UHFFFAOYSA-N |
| SMILES | Nc1cccc(c1)S(O)(=O)=O |
| LogP (Verteilungskoeffizient) | -2.77 at 21℃ |
| CAS Datenbank | 121-47-1(CAS DataBase Reference) |
| NIST chemische Informationen | Metanilic acid(121-47-1) |
| EPA chemische Informationen | Metanilic acid (121-47-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: 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)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | 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-Kennzeichnung | Corrosive |
| Brandgefahren | Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and mucous membranes. |
| Gefahrenübersicht | 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 irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 3-AMINOBENZENE SULFONIC ACID is an amino acid. Reacts weakly with both acids and bases. |
| Air and Water Reactions | Water insoluble [Hawley]. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 * |
| Brandbekämpfung | Fires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | 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. |
| Freisetung ohne Brand | 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 Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Personal Protective Equipment (PPE) | 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) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3261 |
| Zollcode | 29214200 |
| RTECS-Nr. | OY2300000 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-28-28A-25 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
Metanilic 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.