2,4-Diaminobenzenesulfonic acid

C6H8N2O3SCAS 88-63-1188.20 g/mol

Open in Covalent MOL file
H2NSOOOHNH2
Primary amineSulfonic acid

Properties

Molecular formula
C6H8N2O3S
Molar mass
188.20 g/mol
Exact mass
188.0256 Da
Melting point
above 294 °C
logP
0.10Crippen estimate
Polar surface area
106.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
88-63-1
SMILES
Nc1ccc(S(=O)(=O)O)c(N)c1
InChIKey
JVMSQRAXNZPDHF-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11)

Weigh it out

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

Names and synonyms

12 names
  • Benzenesulfonic acid, 2,4-diamino-
  • o-Aminosulfanilic acid
  • 1,3-Diaminobenzene-6-sulfonic acid
  • m-Phenylenediamine-4-sulfonic acid
  • 1,3-Diaminobenzene-4-sulfonic acid
  • 1,3-Phenylenediamine-4-sulfonic acid
  • 4-Sulfo-1,3-diaminobenzene
  • Metaphenylenediamine-4-sulfonic acid
  • NSC 7835
  • 2,4-Diamino-1-benzenesulfonic acid
  • ABSA
  • 1-Sulfo-2,4-phenylenediamine

Work with 2,4-Diaminobenzenesulfonic 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.

Sodium 2,4-diaminobenzenesulfonate3177-22-8Salt

Similar compounds

2-Amino-1,4-benzenedisulfonic acid98-44-268 % similar 2,2′-Benzidinedisulfonic acid117-61-365 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-862 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-759 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-859 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-759 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-358 % similar Orthanilic acid88-21-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(3-Hydroxypyridin-2-yl)methanesulfonamide1082766-43-5 3,4-Diaminobenzenesulfonic acid7474-78-4 2,5-Diaminobenzenesulfonic acid88-45-9 2-Aminophenol-4-sulfonamide98-32-8 4-Hydrazinobenzenesulfonic acid98-71-5

Elsewhere

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