4-Hydroxy-1-naphthalenesulfonic acid sodium salt - CAS 6099-57-6
Catalog: |
BB030890 |
Product Name: |
4-Hydroxy-1-naphthalenesulfonic acid sodium salt |
CAS: |
6099-57-6 |
Synonyms: |
sodium;4-hydroxynaphthalene-1-sulfonate |
IUPAC Name: | sodium;4-hydroxynaphthalene-1-sulfonate |
Description: | 4-Hydroxy-1-naphthalenesulfonic acid sodium salt (CAS# 6099-57-6) is a sodium salt of 4-Hydroxynaphthalene-1-sulfonic Acid (H253550), which is a useful research chemical, a degradation product of naphthalene dye. |
Molecular Weight: | 246.21 |
Molecular Formula: | C10H7NaO4S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])O.[Na+] |
InChI: | InChI=1S/C10H8O4S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6,11H,(H,12,13,14);/q;+1/p-1 |
InChI Key: | IAAKNVCARVEIFS-UHFFFAOYSA-M |
Purity: | Techincal grade |
Appearance: | White crystalline powder |
MDL: | MFCD00021518 |
LogP: | 2.53030 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18541251 | 20080711 | Preparative purification of 4-hydroxy-1-naphthalenesulfonic acid sodium salt by high-speed counter-current chromatography | Journal of chromatography. A |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.99627416 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.99627416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 85.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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