1-Naphthol-3,6-disulfonic acid

C10H8O7S2CAS 578-85-8304.29 g/mol

Open in Covalent MOL file
OSOOHOHSOOHO
PhenolSulfonic acid

Properties

Molecular formula
C10H8O7S2
Molar mass
304.29 g/mol
Exact mass
303.9711 Da
logP
1.04Crippen estimate
Polar surface area
129.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
578-85-8
SMILES
O=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)cc2c1
InChIKey
TZBROGJRQUABOK-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)

Weigh it out

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

Names and synonyms

7 names
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-
  • 4-Hydroxy-2,7-naphthalenedisulfonic acid
  • 1-Hydroxy-3,6-naphthalenedisulfonic acid
  • Violet acid
  • 3,6-Disulfo-1-naphthol
  • NSC 8627
  • BGO 136

Work with 1-Naphthol-3,6-disulfonic acid

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.

4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-7Salt

Similar compounds

7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-574 % similar N-Methyl J acid22346-43-668 % similar Phenyl J acid119-40-465 % similar 4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)134-47-465 % similar Chromotropic acid148-25-463 % similar 7-Acetamido-4-hydroxy-2-naphthalenesulfonic acid6334-97-062 % similar Gamma acid90-51-761 % similar 2,6-Naphthalenedisulfonic acid581-75-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Hydroxy-1,6-naphthalenedisulfonic acid117-43-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook