8-aminonaphthalene-2-sulfonic acid

• ChemBase ID: 104106
• Molecular Formular: C10H9NO3S
• Molecular Mass: 223.24836
• Monoisotopic Mass: 223.03031415
• SMILES: Nc1c2cc(ccc2ccc1)S(=O)(=O)O
• Canonical SMILES: Nc1cccc2c1cc(cc2)S(=O)(=O)O
• InChI: InChI=1S/C10H9NO3S/c11-10-3-1-2-7-4-5-8(6-9(7)10)15(12,13)14/h1-6H,11H2,(H,12,13,14)
• InChIKey: QEZZCWMQXHXAFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-aminonaphthalene-2-sulfonic acid
• IUPAC Traditional name: 8-aminonaphthalene-2-sulfonic acid
• Synonyms: 1-Naphthylamine-7-sulfonic acid; Cleves acid-1,7; 8-Amino-2-naphthalenesulfonic acid; 1,7-Cleve's acid; 8-AMINO-2-NAPHTHALENE-SULFONIC ACID; 1,7-克利夫酸; 1-萘胺-7-磺酸; 8-氨基-2-萘磺酸

Database IDs

• CAS Number: 119-28-8
• EC Number: 204-311-4
• MDL Number: MFCD00004032
• Beilstein Number: 2115629
• PubChem SID: 24886129; 162092429; 24891278
• PubChem CID: 8386

CALCULATED PROPERTIES

• Acid pKa: -1.9771978
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6192114
• LogD (pH = 7.4): -1.0520061
• Log P: 1.0918381
• Molar Refractivity: 57.8311 cm^3
• Polarizability: 23.538006 Å^3
• Polar Surface Area: 80.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥300 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Corrosive (C)
• UN Number: 2585
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 34; R:34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• EU Classification: C4
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 153
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2585 8/PG 3

Product Information

• Purity: ≥97%; ≥97.0% (T); 96%
• Grade: technical
• Ignition Residue: ≤1%
• Linear Formula: H2NC10H6SO3H

DETAILS

Sigma Aldrich - A7782

包装
25, 100 g in glass bottle