sodium naphthalene-1-sulfonate

• ChemBase ID: 78333
• Molecular Formular: C10H7NaO3S
• Molecular Mass: 230.21555
• Monoisotopic Mass: 230.00135937
• SMILES: S(=O)(=O)(c1c2c(ccc1)cccc2)[O-].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)c1cccc2c1cccc2.[Na+]
• InChI: InChI=1S/C10H8O3S.Na/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H,11,12,13);/q;+1/p-1
• InChIKey: HIEHAIZHJZLEPQ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium naphthalene-1-sulfonate
• IUPAC Traditional name: sodium 1-naphthalenesulfonate
• Synonyms: Sodium 1-naphthalenesulfonate; Sodium naphthalene-1-sulfonate; Naphthalene-1-sulfonic acid sodium salt; Sodium naphthalene-1-sulfonate; sodium 1-Naphthalenesulfonate; Naphthalene-1-sulphonic acid sodium salt 99%; 1-Naphthalenesulfonic acid sodium salt; 1-萘磺酸 钠盐; 1-萘磺酸钠盐; 萘-1-磺酸钠

Database IDs

• CAS Number: 130-14-3
• EC Number: 204-976-0
• MDL Number: MFCD00064964
• Beilstein Number: 3639038
• PubChem SID: 162043102; 24859871
• PubChem CID: 23661867

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.23276396
• LogD (pH = 7.4): -0.23276943
• Log P: 2.1436293
• Molar Refractivity: 52.009 cm^3
• Polarizability: 22.310434 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: -1.7684745

PROPERTIES

Physical Property

• Melting Point: 299-301°C; 299-301°C

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• 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: ≥90% (HPLC); 80%; 95+%; 97%; 99% (dry wt.), water <2%
• Grade: technical grade
• Empirical Formula (Hill Notation): C10H7NaO3S

DETAILS

Sigma Aldrich - 330531

包装
5, 250 g in glass bottle