4-Amino-1-naphthalenesulfonic acid sodium salt hydrate - CAS 123333-48-2
Catalog: |
BB005664 |
Product Name: |
4-Amino-1-naphthalenesulfonic acid sodium salt hydrate |
CAS: |
123333-48-2 |
Synonyms: |
sodium;4-aminonaphthalene-1-sulfonate;hydrate |
IUPAC Name: | sodium;4-aminonaphthalene-1-sulfonate |
Description: | 4-Amino-1-naphthalenesulfonic acid sodium salt hydrate (CAS# 123333-48-2 ) is a useful research chemical. |
Molecular Weight: | 245.23 (anhydrous basis) |
Molecular Formula: | C10H10NNaO4S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.O.[Na+] |
InChI: | InChI=1S/C10H9NO3S.Na.H2O/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;;/h1-6H,11H2,(H,12,13,14);;1H2/q;+1;/p-1 |
InChI Key: | PGVZBSXAFZCRTM-UHFFFAOYSA-M |
Density: | 1.502 g/cm3 |
MDL: | MFCD00150730 |
LogP: | 2.98810 |
GHS Hazard Statement: | H315 (81.82%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210014705-A | www.18338891.com | 20210120 |
KR-20210013738-A | www.18338891.com | 20210118 |
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CN-111592475-A | Green preparation method of 1-amino-4-sodium naphthalenesulfonate | 20200526 |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.01225857 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.01225857 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 91.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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