2-Bromo-1-chloro-3-nitrobenzene

C₆H₃BrClNO₂CAS 19128-48-4236.45 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
logP: 3.01Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

19128-48-4

SMILES

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

InChIKey

UYTRBIUOIKOGQO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Bromo-3-chloronitrobenzene

Work with 2-Bromo-1-chloro-3-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

2-Nitrochlorobenzene88-73-367 % similar 2,3-Dichloronitrobenzene3209-22-163 % similar 2-Bromo-3-nitrotoluene41085-43-262 % similar 2-Bromo-1-fluoro-3-nitrobenzene59255-94-662 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-261 % similar 2-Chloro-6-nitrophenol603-86-159 % similar 2-Chloro-6-nitrobenzenamine769-11-959 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-159 % 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 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 1-Bromo-4-chloro-2-nitrobenzene41513-04-6

Elsewhere

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