2,4-Dibromo-6-nitroaniline

C₆H₄Br₂N₂O₂CAS 827-23-6295.92 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄Br₂N₂O₂
Molar mass: 295.92 g/mol
Exact mass: 293.8640 Da
logP: 2.70Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

827-23-6

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)Br

InChIKey

OBTUHOVIVLDLLD-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Br2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2

Weigh it out

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

Work with 2,4-Dibromo-6-nitroaniline

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-Bromo-4,6-dinitroaniline1817-73-871 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-569 % similar 4-Bromo-2-methyl-6-nitrobenzenamine77811-44-067 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-767 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-867 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-162 % similar 4-Bromo-2-nitro-6-(trifluoromethyl)aniline157026-18-162 % similar 2-Bromo-6-nitrobenzenamine59255-95-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3,6-dibromopyrazine-2-carboxylate13301-04-7 2,6-Dibromo-4-nitroaniline827-94-1

Elsewhere

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