chempirical

4-Nitroaniline-2-sulfonic acid

C6H6N2O5SCAS 96-75-3218.18 g/mol

Open in Covalent MOL file
H2NN+OO−SOOOH
NitroPrimary amineSulfonic acid

Properties

Molecular formula
C6H6N2O5S
Molar mass
218.18 g/mol
Exact mass
217.9997 Da
Melting point
196 °C
logP
0.42Crippen estimate
Polar surface area
123.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
96-75-3
SMILES
Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)O
InChIKey
LTASFWDWBYFZQQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,7H2,(H,11,12,13)

Weigh it out

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

Names and synonyms

9 names
  • Benzenesulfonic acid, 2-amino-5-nitro-
  • 2-Amino-5-nitrobenzenesulfonic acid
  • p-Nitroaniline-o-sulfonic acid
  • p-Nitroaniline-2-sulfonic acid
  • 4-Nitro-2-sulfoaniline
  • 2-Amino-5-nitrobenzene-1-sulfonic acid
  • 1-Amino-4-nitrobenzene-2-sulfonic acid
  • 5-Nitro-2-aminobenzenesulfonic acid
  • NSC 7540

Work with 4-Nitroaniline-2-sulfonic 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

4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-767 % similar 2-Amino-4-nitrophenol-6-sulfonic acid96-67-366 % similar 2-Methyl-5-nitrobenzenesulfonic acid121-03-965 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-165 % similar 2-(Methylsulfonyl)-4-nitrobenzenamine96-74-265 % similar 2,4-Dinitrobenzenesulfonic acid89-02-164 % similar 5-Amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid119-72-264 % similar Sodium 2-amino-5-nitrobenzenesulfonate30693-53-963 % similar

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

Same formula

4-Amino-3-nitrobenzenesulfonic acid616-84-2

Elsewhere

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