2,6-Dinitroaniline

C₆H₅N₃O₄CAS 606-22-4183.12 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: 141.5 °C
logP: 1.09Crippen estimate
Polar surface area: 112.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed89.6% of notifiers
H311 Toxic in contact with skin89.6% of notifiers
H330 Fatal if inhaled12.5% of notifiers
H331 Toxic if inhaled81.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure91.7% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

606-22-4

SMILES

Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

InChIKey

QFUSCYRJMXLNRB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Benzenamine, 2,6-dinitro-
Aniline, 2,6-dinitro-
2,6-Dinitrobenzenamine
2-Amino-1,3-dinitrobenzene
1-Amino-2,6-dinitrobenzene
NSC 93399
2,6-Dinitro-phenylamine

Reactions

2,6-DINITROANILINE (Aniline, 2,6-dinitro-)product

Work with 2,6-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

3-Nitro-1,2-phenylenediamine3694-52-878 % similar 2-Bromo-6-nitrobenzenamine59255-95-775 % similar 2-Chloro-6-nitrobenzenamine769-11-975 % similar 2-Fluoro-6-nitrobenzenamine17809-36-872 % similar 2-Methyl-6-nitroaniline570-24-172 % similar 2-Amino-3-nitrophenol603-85-072 % similar 2-Methoxy-6-nitrobenzenamine16554-45-366 % similar 2-Amino-3-nitrobenzamide313279-12-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dinitroaniline610-41-3 3,5-Dinitroaniline618-87-1 2,4-Dinitroaniline97-02-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook