Bis(4-bromophenyl)amine

C₁₂H₉Br₂NCAS 16292-17-4327.02 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₂H₉Br₂N
Molar mass: 327.02 g/mol
Exact mass: 324.9102 Da
logP: 4.96Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed97.5% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H413 May cause long lasting harmful effects to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

16292-17-4

SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)Br)Br

InChIKey

VKVHTZNHLOGHGP-UHFFFAOYSA-N

InChI

InChI=1S/C12H9Br2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H

Weigh it out

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

Work with Bis(4-bromophenyl)amine

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-Bromodiphenylamine54446-36-579 % similar N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-868 % similar 1,4-Dibromobenzene106-37-660 % similar (4-Bromophenyl)hydrazine589-21-960 % similar 4-Bromo-N-methylaniline6911-87-157 % similar p-Bromophenylhydrazine hydrochloride41931-18-452 % similar 4-Bromophenylhydrazine hydrochloride622-88-852 % similar Tetrakis(4-bromophenyl)methane105309-59-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook