2-Bromo-1-chloro-4-nitrobenzene

C₆H₃BrClNO₂CAS 16588-26-4236.45 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
Melting point: 61 °C
Boiling point: 100 °C (at 0.1 Torr)
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 irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% 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

16588-26-4

SMILES

O=[N+]([O-])c1ccc(Cl)c(Br)c1

InChIKey

CGTVUAQWGSZCFH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

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

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

1,2-Dichloro-4-nitrobenzene99-54-768 % similar 2,4-Dinitrochlorobenzene97-00-764 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-661 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-960 % similar 2-Bromo-4-nitrobenzenamine13296-94-160 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-260 % similar 2-Bromo-4-nitrophenol5847-59-660 % similar Nitrofungin619-08-960 % 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-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 1-Bromo-4-chloro-2-nitrobenzene41513-04-6

Elsewhere

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