Sulfanilic acid

Benzenesulfonic acid, 4-amino-, diazotized, coupled with 5,5'-oxybis[1,3-benzenediol], sodium salt

Identifikatoren & physikalische Daten

CAS No.	121-57-3
Summenformel	C6H7NO3S
Durchschnittliche Molmasse	173,19 g/mol
Monoisotopische Masse	173,01466408 g/mol
SMILES	Nc1ccc(S(=O)(=O)O)cc1
InChIKey	HVBSAKJJOYLTQU-UHFFFAOYSA-N
PubChem CID	8479
ChEMBL	CHEMBL1566888
ChEBI	CHEBI:27500
EC No.	204-482-5
DTXSID	DTXSID6024464

Chemische & physikalische Eigenschaften

XLogP	-0,6
Polarare Oberfläche (TPSA)	88,8
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	210
Stoffklassen	Nitrogen Compounds -> Aminobenzenesulfonic Acids
Pestizide	Environmental transformation -> Pesticide transformation products (metabolite, successor)
LogP (Verteilungskoeffizient)	log Kow = -2.16-0.9
Dichte	1.485 at 77 °F (NTP, 1992) - Denser than waterwill sink1.485 at 25 °C/4 °C1.49 g/cm³1.485 @25 °C
Color/Form	Orthorhombic plates or monoclinic from water
Löslichkeit	less than 1 mg/mL at 68 °F (NTP, 1992)Insoluble in ethanol and etherSoluble in fuming hydrochloric acidSlowly sol in water: about 1% at 20 °C, about 1.45% at 30 °C, about 1.94% at 40 °CIn water, 10.68 g/L at 20 °C14.68 g/L at 30 °CSolubility in water: poor
Decomposition	When heated to decomposition it emits toxic vapors of /nitrogen oxides and sulfur oxides/.288 °C
Schmelzpunkt	Decomposes without melting at 550 °F (NTP, 1992)288 °C decomposes without melting
Dampfdruck	0.0000002 [mmHg]
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	4-aminobenzene sulfonic acid appears as white powder with faint purple tinge. Grayish-white flat crystals. Becomes anhydrous at around 212 °F. Low toxicity (used medicinally).Dry PowderGreyish-white solid[Hawley] White to grey solid[ICSC] Light grey fine crystals and fragments[MSDSonline]WHITE POWDER OR WHITE-TO-GREY CRYSTALS.
Dissociation Constants	pKa = 3.25 at 25 °CpKa = 3.34 at 15 °C

Sicherheit & Vorschriften

Reaktive Gruppe
GHS-Einstufung	WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]
Regulatorische Informationen	Chemical: Benzenesulfonic acid, 4-amino-Regulation (EC) No 1107/2009 (amended)Benzenesulfonic acid, 4-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 4-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: 11-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/14240Benzenesulphonic acid, 4-amino-: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - Sulfanilic acid and its sodium salt: Human health tier II assessment
DOT-Kennzeichnung	Corrosive
Brandgefahren	Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Gesundheitsgefahren	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Gefahrenübersicht	An eye and mild skin irritantMay cause skin sensitizationIn monohydrate form at room temperatureBecomes anhydrous near 100 deg C[ICSC] Sensitizing in 5 of 6 guinea pig and 1 of 2 mouse skin tests[IUCLID] Emergency medical treatment: irritants[HSDB] May cause skin, eye, and mucous membrane irritation[CAMEO] An irritant[MSDSonline]