8-Amino-2-naphthalenesulfonic acid - CAS 119-28-8
Catalog: |
BB004454 |
Product Name: |
8-Amino-2-naphthalenesulfonic acid |
CAS: |
119-28-8 |
Synonyms: |
8-aminonaphthalene-2-sulfonic acid |
IUPAC Name: | 8-aminonaphthalene-2-sulfonic acid |
Description: | 8-Amino-2-naphthalenesulfonic acid (CAS# 119-28-8) is used as an analyte in the development of several detection and analytical methods. |
Molecular Weight: | 223.25 |
Molecular Formula: | C10H9NO3S |
Canonical SMILES: | C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N |
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) |
InChI Key: | QEZZCWMQXHXAFG-UHFFFAOYSA-N |
Melting Point: | >300 °C |
Purity: | 95 % |
Density: | 1.502 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00004032 |
LogP: | 3.33070 |
GHS Hazard Statement: | H314 (91.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21577954 | 20090919 | 1-Ammonio-naphthalene-2-sulfonate | Acta crystallographica. Section E, Structure reports online |
21577525 | 20090808 | 8-Ammonio-naphthalene-2-sulfonate monohydrate: the zwitterionic hydrate of 1,7-Cleve's acid | Acta crystallographica. Section E, Structure reports online |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
12022643 | 20020401 | Stability study and determination of benzene- and naphthalenesulfonates following an on-line solid-phase extraction method using the new programmable field extraction system | The Analyst |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.03031432 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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