2,4-Dibromonitrobenzene

C₆H₃Br₂NO₂CAS 51686-78-3280.90 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃Br₂NO₂
Molar mass: 280.90 g/mol
Exact mass: 278.8531 Da
logP: 3.12Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

51686-78-3

SMILES

C1=CC(=C(C=C1Br)Br)[N+](=O)[O-]

InChIKey

DXRVYZGVVFZCFP-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

Weigh it out

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

Names and synonyms

1 names

2,4-Dibromo-1-nitrobenzene

Work with 2,4-Dibromonitrobenzene

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-Bromo-1,2-dinitrobenzene610-38-872 % similar 3-Bromo-4-nitrophenol5470-65-569 % similar 5-Bromo-2-nitrophenol27684-84-064 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-364 % similar 2-Bromo-4-fluoro-1-nitrobenzene700-36-764 % similar 1,3-Dibromo-4,6-dinitrobenzene24239-82-562 % similar 5-Bromo-2-nitrobenzaldehyde20357-20-460 % similar 1-Bromo-2-nitrobenzene577-19-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dibromopyridine-4-carboxylic acid2016-99-1 2,5-Dibromo-3-pyridinecarboxylic acid29312-99-0 2,5-Dibromonitrobenzene3460-18-2 2,6-Dibromo-3-pyridinecarboxylic acid55304-85-3 3,5-Dibromonitro benzene6311-60-0

Elsewhere

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