sodium 4-(phenylamino)benzene-1-sulfonate

• ChemBase ID: 103643
• Molecular Formular: C12H10NNaO3S
• Molecular Mass: 271.26747
• Monoisotopic Mass: 271.02790847
• SMILES: [Na+].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1
• Canonical SMILES: [O-]S(=O)(=O)c1ccc(cc1)Nc1ccccc1.[Na+]
• InChI: InChI=1S/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1
• InChIKey: DGXTZMPQSMIFEC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-(phenylamino)benzene-1-sulfonate
• IUPAC Traditional name: sodium 4-(phenylamino)benzenesulfonate; potassium 4-(phenylamino)benzenesulfonate
• Synonyms: Diphenylamine-4-sulfonic acid sodium salt; Sodium diphenylamine-4-sulfonate; p-DIPHENYLAMINESULFONIC ACID SODIUM SALT; p-DIPHENYLAMINE SULFONIC ACID SODIUM SALT; Sodium diphenylamine-4-sulfonate; 4-(Phenylamino)benzenesulfonic acid sodium salt; DIPHENYLAMINE-4-SULFONIC ACID, ACS; Sodium diphenylamine-4-sulfonate, 0.005M solution in water; Sodium diphenylamine-4-sulfonate, ACS; Sodium 4-(phenylamino)benzenesulfonate; sodium 4-(phenylamino)benzene-1-sulfonate; 4-(苯氨基)苯磺酸 钠盐; 二苯胺-4-磺酸 钠盐; 二苯胺-4-磺酸钠; 二苯基氨基-4-磺酸钠, 0.005M水溶液; 二苯胺-4-磺酸钠, ACS

Database IDs

• CAS Number: 6152-67-6
• EC Number: 228-165-6
• MDL Number: MFCD00036468
• PubChem SID: 24854595; 24859967; 162092411
• PubChem CID: 517002

CALCULATED PROPERTIES

• Acid pKa: -3.1855903
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.21769214
• LogD (pH = 7.4): 0.21767968
• Log P: 0.9796707
• Molar Refractivity: 64.045 cm^3
• Polarizability: 25.54941 Å^3
• Polar Surface Area: 69.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid; Powder
• Melting Point: 200°C; 300 - 302°C
• Hydrophobicity(logP): 1.219

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%; 98%
• Concentration: 0.005M solution in water
• Grade: ACS; ACS reagent; indicator for the determination of the redox potential; REAGENT
• Suitability: passes test for indicator; passes test for sensitivity
• Quality: E0 in sulfuric acid 1 mol/l = +0,83 volt, rH = 27-29
• Empirical Formula (Hill Notation): C12H10NNaO3S

DETAILS

MP Biomedicals - 02152519

ACS Reagent Grade
Sodium Salt

MP Biomedicals - 05225898

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05212686

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 33150

General description
Visit our Titration Center to learn more.

Sigma Aldrich - 242969

Packaging
25 g in poly bottle
5 g in glass bottle