8-Quinolinesulfonic acid

C9H7NO3SCAS 85-48-3209.22 g/mol

Open in Covalent MOL file
OSOOHN
Sulfonic acid

Properties

Molecular formula
C9H7NO3S
Molar mass
209.22 g/mol
Exact mass
209.0147 Da
Density
1.62 g/mL
Melting point
312 °C
logP
1.48Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
85-48-3
SMILES
O=S(=O)(O)c1cccc2cccnc12
InChIKey
SXVRECLPTCOMIA-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO3S/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H,(H,11,12,13)

Weigh it out

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

Names and synonyms

3 names
  • NSC 10433
  • NSC 28840
  • 8-Sulfoquinoline

Work with 8-Quinolinesulfonic 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

Similar compounds

8-Quinolinesulfonyl chloride18704-37-560 % similar 8-Hydroxyquinoline-5-sulfonic acid84-88-854 % similar Naphthalene-1-sulfonic acid85-47-253 % similar Hydroxyquinoline sulfate134-31-653 % similar 1H-Benzotriazole-4-sulfonic acid26725-50-850 % similar 8-Hydroxyquinoline-5-sulfonic acid monohydrate283158-18-950 % similar Armstrong's acid81-04-950 % similar 8-Hydroxyquinoline sulfate monohydrate207386-91-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Isoquinolinesulfonic acid27655-40-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook