4-Bromotriphenylamine

C₁₈H₁₄BrNCAS 36809-26-4324.22 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₈H₁₄BrN
Molar mass: 324.22 g/mol
Exact mass: 323.0310 Da
logP: 5.92Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H413 May cause long lasting harmful effects to aquatic life92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

36809-26-4

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)Br

InChIKey

SQTLUXJWUCHKMT-UHFFFAOYSA-N

InChI

InChI=1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

Weigh it out

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

Work with 4-Bromotriphenylamine

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

4,4'-Dibromotriphenylamine81090-53-1100 % similar 4-Bromo-4'-(diphenylamino)biphenyl202831-65-086 % similar N-(4-Bromophenyl)-N-phenyl-[1,1'-biphenyl]-4-amine503299-24-983 % similar Tris(4-bromophenyl)amine4316-58-979 % similar N-(4-Bromophenyl)-N,N-bis(1,1'-biphenyl-4-yl)amine499128-71-178 % similar N,N-Di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-amine728039-63-278 % similar 4,4'-Dibromo-4''-phenyltriphenylamine884530-69-278 % similar Triphenylamine603-34-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-8 2-Bromo triphenylamine78600-31-4

Elsewhere

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