2-Bromo-4,6-dinitroaniline

C₆H₄BrN₃O₄CAS 1817-73-8262.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄BrN₃O₄
Molar mass: 262.02 g/mol
Exact mass: 260.9385 Da
Melting point: 153 °C
Water solubility: < 1 g/L (21.1 °C)
logP: 1.85Crippen estimate
Polar surface area: 112.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H228 Flammable solid16.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H336 May cause drowsiness or dizziness16.7% of notifiers
H341 Suspected of causing genetic defects66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

1817-73-8

SMILES

Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]

InChIKey

KWMDHCLJYMVBNS-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2

Weigh it out

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

Names and synonyms

7 names

Benzenamine, 2-bromo-4,6-dinitro-
Aniline, 2-bromo-4,6-dinitro-
2-Bromo-4,6-dinitrobenzenamine
6-Bromo-2,4-dinitroaniline
2-Bromo-4,6-dinitroaminobenzene
2,4-Dinitro-6-bromoaniline
NSC 16572

Work with 2-Bromo-4,6-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

2,6-Dibromo-4-nitroaniline827-94-180 % similar 2,4,6-Trinitroaniline489-98-573 % similar 2,4-Dibromo-6-nitroaniline827-23-671 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-569 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-669 % similar 2-Bromo-6-methyl-4-nitroaniline102170-56-967 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-767 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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