Sodium 2-amino-5-nitrobenzenesulfonate

C6H5N2NaO5SCAS 30693-53-9240.16 g/mol

Open in Covalent MOL file
H2NN+O−OSO−OONa+
NitroPrimary amineSulfonic acid

Properties

Molecular formula
C6H5N2NaO5S
Molar mass
240.16 g/mol
Exact mass
239.9817 Da
logP
0.04Crippen estimate
Polar surface area
123.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
30693-53-9
SMILES
Nc1ccc([N+]([O-])=O)cc1S([O-])(=O)=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • Benzenesulfonic acid, 2-amino-5-nitro-, sodium salt (1:1)
  • Benzenesulfonic acid, 2-amino-5-nitro-, monosodium salt
  • 2-Amino-5-nitrobenzenesulfonic acid sodium salt
  • Sodium 4-nitroaniline-2-sulfonate
  • 4-Nitroaniline-2-sulfonic acid sodium salt

Work with Sodium 2-amino-5-nitrobenzenesulfonate

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-Nitroaniline-2-sulfonic acid96-75-3Free acid

Similar compounds

2-Chloro-5-nitrobenzenesulfonic acid sodium salt946-30-570 % similar Sodium 2,4-dinitrobenzenesulfonate885-62-165 % similar 2-(Methylsulfonyl)-4-nitrobenzenamine96-74-263 % similar Mordant brown 333618-62-061 % similar Nitrol S127-68-459 % similar 4-Nitro-1,2-phenylenediamine99-56-957 % similar 2-Amino-4-nitrophenol sodium salt61702-43-056 % similar 2-Chloro-4-nitroaniline121-87-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Sodium 2-nitroaniline-4-sulfonate5042-33-1

Elsewhere

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