Sodium 1,5-naphthalenedisulfonate dibasic - CAS 1655-29-4
Catalog: |
BB012194 |
Product Name: |
Sodium 1,5-naphthalenedisulfonate dibasic |
CAS: |
1655-29-4 |
Synonyms: |
disodium;naphthalene-1,5-disulfonate |
IUPAC Name: | disodium;naphthalene-1,5-disulfonate |
Description: | Sodium 1,5-naphthalenedisulfonate dibasic (CAS# 1655-29-4) is a petroleum disulfonates in crude oil; It is used in the synthesis of Levobunolol Hydrochloride; Also, it is capable of recycling wastewater. |
Molecular Weight: | 332.26 |
Molecular Formula: | C10H6Na2O6S2 |
Canonical SMILES: | C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+] |
InChI: | InChI=1S/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2 |
InChI Key: | YGSZNSDQUQYJCY-UHFFFAOYSA-L |
Purity: | Techincal grade |
Density: | 1.704 g/cm3 |
Appearance: | White to tan crystal |
Storage: | Store at RT. |
MDL: | MFCD00064178 |
LogP: | 2.80960 |
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 |
16872183 | 20060804 | Organic anion recognition of naphthalenesulfonates by steroid-modified beta-cyclodextrins: enhanced molecular binding ability and molecular selectivity | The Journal of organic chemistry |
11520195 | 20010830 | Utilization of a peptide lead for the discovery of a novel PTP1B-binding motif | Journal of medicinal chemistry |
Complexity: | 423 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.94011882 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.94011882 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 131 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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