3,4-Dinitroaniline

C₆H₅N₃O₄CAS 610-41-3183.12 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₆H₅N₃O₄
Molar mass: 183.12 g/mol
Exact mass: 183.0280 Da
Melting point: 153–154 °C
logP: 1.09Crippen estimate
Polar surface area: 112.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

610-41-3

SMILES

Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

InChIKey

IPZPZSUDOPUDPM-UHFFFAOYSA-N

InChI

InChI=1S/C6H5N3O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H,7H2

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Names and synonyms

3 names

Benzenamine, 3,4-dinitro-
Aniline, 3,4-dinitro-
3,4-Dinitrobenzenamine

Work with 3,4-Dinitroaniline

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-Nitro-M-phenylenediamine5131-58-872 % similar Nitro-P-phenylenediamine5307-14-272 % similar 4-Methyl-3-nitroaniline119-32-468 % similar 4-Amino-2-nitrophenol119-34-668 % similar 3-Fluoro-4-nitrobenzenamine2369-13-368 % similar 4-Fluoro-3-nitroaniline364-76-168 % similar 4-Bromo-3-nitrobenzenamine53324-38-268 % similar 3-Methyl-4-nitroaniline611-05-268 % similar

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

Same formula

2,6-Dinitroaniline606-22-4 3,5-Dinitroaniline618-87-1 2,4-Dinitroaniline97-02-9

Elsewhere

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