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3-Amino-benzolsulfonsäure

3-Aminobenzenesulfonic acid

HCID 8474
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Grundinformationen

CAS
121-47-1
Standard-SMILES
Nc1cccc(S(=O)(=O)O)c1
InChIKey
ZAJAQTYSTDTMCU-UHFFFAOYSA-N
Summenformel
C6H7NO3S
Durchschnittliche Molmasse
173,19 g/mol
Monoisotopische Masse
173,01466408

Überblick

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

Namen und Bezeichner

Bevorzugter Name
3-Aminobenzenesulfonic acid
IUPAC
3-aminobenzenesulfonic acid
Lokaler Name
3-Amino-benzolsulfonsäure
Englischer Name
Metanilic acid
Summenformel
C6H7NO3S
Molmasse
173.19

Namen und Synonyme

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
Weitere Namen anzeigen
ANILINE-3-SULFONIC ACIDphenylsulfamic acidAminobenzenesulfonic acid3-SULFOANILINEaminobenzenesulfonicacidmetanilicMetanilsureMetanilc Acid
OT03NUM20PNSC-4504DTXCID804462CHEBI:27764RefChem:811221204-473-63-Aminobenzenesulphonic acid3-Amino-benzenesulfonic acid

Datenbank-Bezeichner

CAS
121-47-1
PubChem CID
8474
DTXSID
DTXSID6024462

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
-0,2
Polarare Oberfläche (TPSA)
88,8 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
11
Formalladung
0
Komplexität
218

Experimentelle und physikochemische Eigenschaften

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 Einträge

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

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

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · >300 °C (lit.)
Dichte
1.69 · 1.69
Brechungsindex
1.55 · 1.5500 (estimate)
storage temp.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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)

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 Eintrag

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]

Chemie und Industrie

Verwendung und Herstellung

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
Anwendungen · 1 Eintrag

VerwendenMetanilic 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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

NicotinsureFuming sulfuric acidIron filingsCongo red paperIron mudNatrium-3-nitrobenzolsulfonatNatriumbenzolsulfonatSchwefeltrioxidNatrium-3-aminobenzolsulfonatLight red

Zugehörige Reaktionen

58
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 79097
HRID 79097als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 258347
HRID 258347als Eduktuspto-grants-1993_11
Reaktionsgleichung von HRID 258348
HRID 258348als Eduktuspto-grants-1993_11
Reaktionsgleichung von HRID 258354
HRID 258354als Eduktuspto-grants-1993_11
Reaktionsgleichung von HRID 258355
HRID 258355als Eduktuspto-grants-1993_11
Reaktionsgleichung von HRID 258358
HRID 258358als Eduktuspto-grants-1993_11
Reaktionsgleichung von HRID 258359
HRID 258359als Eduktuspto-grants-1993_11
Reaktionsgleichung von HRID 258362
HRID 258362als Eduktuspto-grants-1993_11
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Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
ChEMBL
CHEMBL1456811
ChEBI
CHEBI:27764
UNII
OT03NUM20P
EC Number
204-473-6
Nikkaji
J2.487B
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
ethanol: very slightly soluble(lit.)
Aggregatzustand
Powder
pka
3.73 · 3.73(at 25℃)
Farbe
White to grayish-beige
Wasserlöslichkeit
slightly soluble
Merck
14 · 14,5927
BRN
473264 · 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
-2.77 at · -2.77 at 21℃
CAS Datenbank
121 · 121-47-1(CAS DataBase Reference)
NIST chemische Informationen
Metanilic acid(121-47-1)
EPA chemische Informationen
Metanilic acid (121-47-1)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile3-AMINOBENZENE SULFONIC ACID is an amino acid. Reacts weakly with both acids and bases.
Air and Water ReactionsWater insoluble [Hawley].
Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 Eintrag

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 Eintrag

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)

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
3261
hs_code
29214200
RTECS-Nr.
OY2300000
risk_code
20/21/22
hazard_code
Xn
safety_code
23-28-28A-25
hazard_class
IRRITANT
Speicherklasse
13 - Non Combustible Solids
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Hydrogenchlorid
Nitrobenzol
Eisen
Schwefelsure
Natriumcarbonat

Nachgelagerte Produkte

cleaner LSNatrium-3-(p-anilinophenylazo)benzolsulfonat3-Acetylamino-benzenesulfonyl chloride1-Amino-4-(2'-(4',6'-dichlor-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracen-2,4'-disulfonsaeureDinatrium-6,13-dichlor-3,10-bis(phenylamino)triphenodioxazin-2,9-disulfonatReactive Navy Blue KerDinatrium-4-[[2,4-diamino-5-[(3-sulfonatophenyl)azo]phenyl]azo]-2-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzolsulfonatNatrium-2,4-diamino-5-(2-hydroxy-5-nitrophenylazo)benzolsulfonatNatrium-8-phenylamino-5-(4-(3-sulfonatophenylazo)-1-naphthylazo)naphthalinsulfonat2-Aminobenzol-1,4-disulfonsureTracid Rubine 5blBenzoesure, 5-[(4-Aminophenyl)azo]-2-hydroxy-, Reaktionsprodukte mit 3-[(4-Amino-3-methoxyphenyl)azo]benzolsulfonsure und Kohlendichlorid, NatriumsalzeReactive Orange 2Trinatrium-7-[[4-chlor-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(2-sulfonatophenyl)azo]naphthalin-2-sulfonatReactive Brilliant Orange K-RREACTIVE BLUE 5Acid Orange 116Reactive Blue 49Reactive Brilliant Orange K-7RDinatrium-8-(4-methylphenylamino)-5-(4-(3-sulfonatophenylazo)-1-naphthylazo)naphthalinsulfonat3-AminophenolTrinatrium-5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfonato-1-anthryl)amino]-2-sulfonatophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylatREACTIVE RED 1981-AminoanthrachinonReactive Blue 198Tetranatrium-[μ-[[7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]naphthalin-2-sulfonato]](8-)]]dicuprat(4-)Tetraammonium-[μ-[[5,5'-[carbonylbis[imino(2-hydroxy-5-sulfo-p-phenylen)azo]]bis[6-hydroxynaphthalin-2-sulfonato]](8-)]]dicuprat(4-)