4-aminobenzene-1-sulfonic acid

• ChemBase ID: 70357
• Molecular Formular: C6H7NO3S
• Molecular Mass: 173.18968
• Monoisotopic Mass: 173.01466409
• SMILES: c1(ccc(cc1)N)S(=O)(=O)O
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)O
• InChI: InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
• InChIKey: HVBSAKJJOYLTQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminobenzene-1-sulfonic acid
• IUPAC Traditional name: sulfanilic acid
• Synonyms: Sulphanilic acid; 4-Aminobenzenesulfonic acid; Aniline-4-sulfonic acid; SULFANILIC ACID; 4-Aminobenzenesulfonic acid; Sulfanilic acid, ACS; 1-Aminobenzene-4-sulfonic Acid; 4-Aminophenylsulfonic Acid; 4-Sulfoaniline; Aniline-p-sulfonic Acid; NSC 7170; p-Aminobenzenesulfonic Acid; p-Aminophenylsulfonic Acid; p-Sulfoaniline; Sulfanilic acid solution; Sulfanilic acid solution; Nitrate Reagent B; SULFANILIC ACID ANHYDROUS ACS REAGENT GRADE; Sulfanilic acid; 对氨基苯磺酸; 对氨基苯磺酸, ACS; 对氨基苯磺酸 溶液; 对氨基苯磺酸 溶液; 硝酸盐试剂 B; 4-氨基苯磺酸; 对氨基苯磺酸; 磺胺酸

Database IDs

• CAS Number: 121-57-3
• EC Number: 204-482-5
• MDL Number: MFCD00007886
• Beilstein Number: 908765
• Merck Index: 148926
• PubChem SID: 24899644; 24855168; 24888523; 162036077
• PubChem CID: 8479
• Wikipedia Title: Sulfanilic_acid

CALCULATED PROPERTIES

• Acid pKa: -3.3874066
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.914855
• LogD (pH = 7.4): -2.0491557
• Log P: 0.1031934
• Molar Refractivity: 41.3809 cm^3
• Polarizability: 16.120646 Å^3
• Polar Surface Area: 80.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: >20 g/l in water
• Apperance: Powder
• Melting Point: >300 °C(lit.); 286 - 292 °C; 288°C; ca 365°C
• Density: 1.485; 1.485 g/cm^3 at 25 °C
• pKa: 3.01

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• RTECS: WP3895500
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 2790
• German water hazard class: 1; nwg
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34; 36/38-43; 43; R:36/38-43
• Safety Statements: 24-37; 26-36/37/39-45; 36/37; S:24-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H314; H315-H317-H319; H315-H319-H317; H317
• GHS Precautionary statements: P261-P280-P305+P351+P338-P302+P352-P321-P501A; P280; P280-P305 + P351 + P338; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, Gloves; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2790 8/PG 3

Product Information

• Purity: ~99%; ≥99.0%; ≥99.0% (T); 95+%; 98%; 98.0-102.0%; 98.0-102.0% (ACS specification); 98+%; 99%; 99.0-100.5%
• Concentration: 0.1 M (0.1N)
• Grade: ACS; ACS reagent; for microbiology; JIS special grade; puriss. p.a.; REAGENT
• Compostion: acetic acid (30%), 1000 mL; sulfanilic acid, 8.0 g
• Suitability: suitable for determination of nitroxide
• Ignition Residue: ≤0.01%; ≤0.01% (as SO4)
• Impurities: ≤0.02% Insoluble in sodium carbonate solution; ≤1% ortho/meta-aminobenzene sulfonic acid (HPLC)
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤0.002%; chloride (Cl-): ≤20 mg/kg; nitrite (NO2-): ≤0.5 mg/kg; nitrite (NO2-): ≤0.5 ppm; sulfate (SO42-): ≤0.01%; sulfate (SO42-): ≤50 mg/kg
• Shelf Life: (limited shelf life); (limited shelf life, expiry date on the label)
• Quality: volumetric
• Factor: 1.000 ±0.3 R%
• calibrated against: sodium nitrite
• Linear Formula: 4-(H2N)C6H4SO3H

DETAILS

MP Biomedicals - 02191448

Anhydrous
ACS Reagent Grade
Crystalline
Purity: 98.0-102.0%

MP Biomedicals - 02102990

Crystalline
Purity: ~99%
Reagent for chromatographic detection of histidine, and intermediate for synthesis of dyes and pharmaceuticals.

Sigma Aldrich - 72326

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 39441

Application
α-Naphthylamine and sulfanilic acid are used for detection of nitrate reduction by bacteria. Organisms containing nitrate reductase reduce nitrate to nitrite, which forms a diazonium salt with sulfanilic acid and reacts with α-naphthylamine to form a red azo dye.

Sigma Aldrich - 251917

Packaging
25, 100, 500 g in poly bottle

Toronto Research Chemicals - S689095

Sulfanilic acid is a toxic metabolite of Tartrazine (T007700). Used as Ehrlich’s reagent, for detecting of nitrites. Antibacterial.

REFERENCES

• J.L. Bailey, "Techniques in Protein Chemistry" , Elsevier Publishing Co., Amsterdam, 2nd Ed., 23, 1967.
• Collins, T., et al.: Food Chem. Toxic., 28, 821 (1990)
• Levine, W., et al.: Drug Metab. Rev., 23, 235 (1990)
• Sasaki, Y., et al.: Mutat. .Res., 519, 103 (1990)