Naphthalene-1,5-disulfonic acid tetrahydrate

C₁₀H₁₆O₁₀S₂CAS 211366-30-2360.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆O₁₀S₂
Molar mass: 360.35 g/mol
Exact mass: 360.0185 Da
logP: -1.97Crippen estimate
Polar surface area: 234.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

211366-30-2

SMILES

O.O.O.O.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

InChIKey

ZLBLYGIIADHDKG-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

1,5-Naphthalenedisulfonic acid, hydrate (1:4)
1,5-Naphthalenedisulfonic acid, tetrahydrate

Work with Naphthalene-1,5-disulfonic acid tetrahydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Armstrong's acid81-04-9Anhydrous Diazoline6153-33-9Salt Disodium 1,5-naphthalenedisulfonate1655-29-4Salt Aclatonium napadisilate55077-30-0Salt Benzenediazonium, 4-chloro-2-methyl-, 1,5-naphthalenedisulfonate (1:1)51503-28-7Salt

Similar compounds

L Acid117-59-969 % similar Naphthalene-1-sulfonic acid85-47-268 % similar Laurent acid84-89-967 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-465 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-161 % similar Dansyl acid4272-77-961 % similar 2-Amino-1,5-naphthalenedisulfonic acid117-62-459 % similar 1-Naphthol-4-sulfonic acid84-87-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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