2-Bromo-N-phenylaniline

C₁₂H₁₀BrNCAS 61613-22-7248.12 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₂H₁₀BrN
Molar mass: 248.12 g/mol
Exact mass: 246.9997 Da
logP: 4.19Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H411 Toxic to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

61613-22-7

SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2Br

InChIKey

WAAWAHYRHUWAFM-UHFFFAOYSA-N

InChI

InChI=1S/C12H10BrN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H

Weigh it out

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

Names and synonyms

1 names

2-Bromodiphenylamine

Work with 2-Bromo-N-phenylaniline

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

Diphenylamine122-39-452 % similar N-Phenyl-o-phenylenediamine534-85-052 % similar N,N′-Diphenyl-p-phenylenediamine74-31-750 % similar N-Phenylnaphthalen-1-amine90-30-250 % similar 2-Bromophenylhydrazine hydrochloride50709-33-646 % similar Diphenylamine hydrochloride537-67-746 % similar N,N′-Diphenylbenzidine531-91-944 % similar Biphenyl-4-yl-biphenyl-2-yl-amin1372775-52-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-biphenyl-4-ylamine41738-70-9 4-Bromodiphenylamine54446-36-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook