Tris(4-bromophenyl)amine

C₁₈H₁₂Br₃NCAS 4316-58-9482.01 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₈H₁₂Br₃N
Molar mass: 482.01 g/mol
Exact mass: 478.8520 Da
Melting point: 143–144 °C
logP: 7.44Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

4316-58-9

SMILES

Brc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1

InChIKey

ZRXVCYGHAUGABY-UHFFFAOYSA-N

InChI

InChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H

Weigh it out

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Names and synonyms

11 names

Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-
Triphenylamine, 4,4′,4′′-tribromo-
4-Bromo-N,N-bis(4-bromophenyl)benzenamine
Tris(p-bromophenyl)amine
p,p′,p′′-Tribromotriphenylamine
N,N-Diphenyl-4,4′,4′′-tribromoaniline
4,4′,4′′-Tribromotriphenylamine
Tri(p-bromophenyl)amine
NSC 86666
Tri(4-bromophenyl)amine
N,N-Bis(4-bromophenyl)-4-bromoaniline

Work with Tris(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-Bromotriphenylamine36809-26-479 % similar 4,4'-Dibromotriphenylamine81090-53-179 % similar 4-Bromo-4',4''-dimethyltriphenylamine58047-42-071 % similar 4-Bromo-4'-(diphenylamino)biphenyl202831-65-068 % similar N-(4-Bromophenyl)-N,N-bis(1,1'-biphenyl-4-yl)amine499128-71-168 % similar N,N-Di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-amine728039-63-268 % similar 4,4'-Dibromo-4''-phenyltriphenylamine884530-69-268 % similar N-(4-Bromophenyl)-N-phenyl-[1,1'-biphenyl]-4-amine503299-24-965 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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