2-Bromo-5-nitroaniline

C₆H₅BrN₂O₂CAS 10403-47-1217.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₅BrN₂O₂
Molar mass: 217.02 g/mol
Exact mass: 215.9534 Da
Melting point: 140 °C
logP: 1.94Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed15.2% of notifiers
H312 Harmful in contact with skin15.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled15.2% of notifiers
H335 May cause respiratory irritation84.8% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10403-47-1

SMILES

Nc1cc([N+](=O)[O-])ccc1Br

InChIKey

BAAUCXCLMDAZEL-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2-bromo-5-nitro-
Aniline, 2-bromo-5-nitro-
2-Bromo-5-nitrobenzenamine
(2-Bromo-5-nitrophenyl)amine

Work with 2-Bromo-5-nitroaniline

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-Nitro-1,2-phenylenediamine99-56-968 % similar 1-Bromo-2,4-dinitrobenzene584-48-564 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-560 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-160 % similar 2-Fluoro-5-nitrobenzenamine369-36-860 % similar 2-Chloro-5-nitroaniline6283-25-660 % similar 1-Bromo-2-methyl-4-nitrobenzene7149-70-460 % similar 2-Methyl-5-nitroaniline99-55-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-4-nitrobenzenamine13296-94-1 3-Bromo-2-methyl-5-nitropyridine186593-42-0 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-3-nitro-4-picoline23056-45-3 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-3-methyl-5-nitropyridine23132-21-0 2-Bromo-6-methyl-3-nitropyridine374633-31-5

Elsewhere

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