8-aminonaphthalene-1-sulfonic acid

• ChemBase ID: 109650
• Molecular Formular: C10H9NO3S
• Molecular Mass: 223.24836
• Monoisotopic Mass: 223.03031415
• SMILES: Nc1c2c(cccc2S(=O)(=O)O)ccc1
• Canonical SMILES: Nc1cccc2c1c(ccc2)S(=O)(=O)O
• InChI: InChI=1S/C10H9NO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
• InChIKey: CYJJLCDCWVZEDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-aminonaphthalene-1-sulfonic acid
• IUPAC Traditional name: 8-aminonaphthalene-1-sulfonic acid
• Synonyms: 8-AMINO-1-NAPHTHALONE SULFONIC ACID; 8-amino-1-Naphthalenesulfonic acid; 1-Naphthylamine-8-sulfonic acid; 8-Aminonaphthalene-1-sulfonic acid; 8-氨基萘磺酸

Database IDs

• CAS Number: 82-75-7
• EC Number: 201-437-1
• MDL Number: MFCD00035730
• Beilstein Number: 983230
• Merck Index: 146405
• PubChem SID: 162095253
• PubChem CID: 6722

CALCULATED PROPERTIES

• Acid pKa: -2.4458637
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8404939
• LogD (pH = 7.4): -1.0580624
• Log P: 1.0915439
• Molar Refractivity: 57.8311 cm^3
• Polarizability: 23.542513 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

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%

DETAILS

MP Biomedicals - 05212044

MP Biomedicals Rare Chemical collection