2,4-Dinitrobenzenesulfonic acid

C₆H₄N₂O₇SCAS 89-02-1248.16 g/mol

Open in Covalent MOL file

Nitro Sulfonic acid

Properties

Molecular formula: C₆H₄N₂O₇S
Molar mass: 248.16 g/mol
Exact mass: 247.9739 Da
Melting point: 108 °C
logP: 0.75Crippen estimate
Polar surface area: 140.7 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3

Identifiers

CAS number

89-02-1

SMILES

O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1

InChIKey

OVOJUAKDTOOXRF-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O7S/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonic acid, 2,4-dinitro-
NSC 152110
NSC 163960
2,4-Dinitrophenylsulfonic acid

Work with 2,4-Dinitrobenzenesulfonic 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 acid128-42-766 % similar 2-Methyl-5-nitrobenzenesulfonic acid121-03-964 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-164 % similar 4-Nitroaniline-2-sulfonic acid96-75-364 % similar 2,4,6-Trinitrobenzenesulfonic acid2508-19-264 % similar 2-Nitrobenzenesulfonic acid80-82-064 % similar 2,4-Dinitrobenzenesulfonyl chloride1656-44-663 % similar Sodium 2,4-dinitrobenzenesulfonate885-62-162 % similar

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

Elsewhere

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