1,5-Naphthalenedisulfonic acid tetrahydrate - CAS 211366-30-2
Catalog: |
BB016640 |
Product Name: |
1,5-Naphthalenedisulfonic acid tetrahydrate |
CAS: |
211366-30-2 |
Synonyms: |
naphthalene-1,5-disulfonic acid;tetrahydrate |
IUPAC Name: | naphthalene-1,5-disulfonic acid;tetrahydrate |
Description: | 1,5-Naphthalenedisulfonic acid tetrahydrate (CAS# 211366-30-2) is a useful research chemical. |
Molecular Weight: | 360.36 |
Molecular Formula: | C10H16O10S2 |
Canonical SMILES: | C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O.O.O.O.O |
InChI: | InChI=1S/C10H8O6S2.4H2O/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);4*1H2 |
InChI Key: | ZLBLYGIIADHDKG-UHFFFAOYSA-N |
Boiling Point: | 935.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.202 g/mL at 20 °C(lit.) |
Appearance: | White to off-white powder, crystals, and crystalline powder |
MDL: | MFCD00149265 |
LogP: | 3.23760 |
GHS Hazard Statement: | H314 (100%): 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 |
Publication Number | Title | Priority Date |
WO-2021108288-A1 | Salts/cocrystals of (r)-n-(4-chlorophenyl)-2-((1s,4s)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanamide | 20191126 |
WO-2021071837-A1 | Gpr119 agonists | 20191007 |
US-2020326280-A1 | Quantitative detection of non-fluorine anti-soil using a fluorescent trace indicator | 20190415 |
WO-2020182978-A1 | Crystalline salt of a 5-ht2a receptor antagonist | 20190313 |
EP-3693364-A1 | Crystalline salts of a hemoglobin s allosteric modulator | 20190211 |
PMID | Publication Date | Title | Journal |
21085724 | 20110107 | Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 450 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 5 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.01848905 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.01848905 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 130 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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