2-Bromo-4-chloro-6-nitrobenzenamine

C₆H₄BrClN₂O₂CAS 827-25-8251.46 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄BrClN₂O₂
Molar mass: 251.46 g/mol
Exact mass: 249.9145 Da
Melting point: 106 °C
logP: 2.59Crippen 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 irritation100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P260, 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

827-25-8

SMILES

Nc1c(Br)cc(Cl)cc1[N+](=O)[O-]

InChIKey

NPCIWMOFULRTDX-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 2-bromo-4-chloro-6-nitro-
Aniline, 2-bromo-4-chloro-6-nitro-
2-Bromo-4-chloro-6-nitroaniline

Work with 2-Bromo-4-chloro-6-nitrobenzenamine

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-dinitroaniline1817-73-867 % similar 2,4-Dichloro-6-nitroaniline2683-43-467 % similar 2,4-Dibromo-6-nitroaniline827-23-667 % similar 2-Bromo-4-fluoro-6-nitroaniline10472-88-565 % similar 4-Chloro-2-methyl-6-nitroaniline62790-50-563 % similar 2-Bromo-4-methyl-6-nitrobenzenamine827-24-763 % similar 2-Bromo-6-nitrobenzenamine59255-95-761 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-6-chloro-2-methyl-5-nitropyridine186413-75-2 3-Bromo-2-chloro-6-methyl-5-nitropyridine856834-95-2 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-2 2-Bromo-6-chloro-4-nitroaniline99-29-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook