1-Bromo-4-chloro-2-nitrobenzene

C₆H₃BrClNO₂CAS 41513-04-6236.45 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃BrClNO₂
Molar mass: 236.45 g/mol
Exact mass: 234.9036 Da
Density: 2.048 g/mL (at 16 °C)
Melting point: 64.8 °C
logP: 3.01Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed10.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

41513-04-6

SMILES

O=[N+]([O-])c1cc(Cl)ccc1Br

InChIKey

UKTIMFAJRPSNGR-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-bromo-4-chloro-2-nitro-
4-Chloro-2-bromonitrobenzene
2-Bromo-5-chloronitrobenzene
4-Bromo-3-nitrochlorobenzene
1-Bromo-2-nitro-4-chlorobenzene

Work with 1-Bromo-4-chloro-2-nitrobenzene

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-Chloro-1,2-dinitrobenzene610-40-268 % similar 2,5-Dibromonitrobenzene3460-18-264 % similar 1-Bromo-2,4-dinitrobenzene584-48-564 % similar 1,4-Dichloro-2-nitrobenzene89-61-264 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-362 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-660 % similar 1-Bromo-4-methyl-2-nitrobenzene5326-34-160 % similar 4-Bromo-3-nitrobenzenamine53324-38-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-chloro-2-nitrobenzene16588-24-2 2-Bromo-1-chloro-4-nitrobenzene16588-26-4 2-Bromo-1-chloro-3-nitrobenzene19128-48-4 1-Bromo-3-chloro-5-nitrobenzene219817-43-3 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-1 5-Bromo-2-chloronicotinic acid29241-65-4 1-Bromo-2-chloro-4-nitrobenzene29682-39-1 1-Bromo-2-chloro-3-nitrobenzene3970-37-4

Elsewhere

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