Tris(4-bromophenyl)amine - CAS 4316-58-9

Name: Tris(4-bromophenyl)amine
Brand: BOC Sciences
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Catalog:	BB025345
Product Name:	Tris(4-bromophenyl)amine
CAS:	4316-58-9
Synonyms:	4-bromo-N,N-bis(4-bromophenyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-N,N-bis(4-bromophenyl)aniline
Description:	Tris(4-bromophenyl)amine (CAS# 4316-58-9) is a useful research chemical.
Molecular Weight:	482.01
Molecular Formula:	C18H12Br3N
Canonical SMILES:	C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)Br
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
InChI Key:	ZRXVCYGHAUGABY-UHFFFAOYSA-N
Boiling Point:	514.9 °C at 760 mmHg
Melting Point:	141-143 °C
Purity:	95 %
Density:	1.79 g/cm³
Appearance:	Pale green powder
Storage:	Refrigerator
MDL:	MFCD00009665
LogP:	7.44390

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Related Functional Groups

Amines and Anilines

[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[1431966-58-3]C8H18Cl2F2N2O
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113354955-A	Novel thiazole azo dye and preparation method and application thereof	20210520
KR-20210023952-A	Compounds comprising benzophenone group, Organic electronic device comprising organic layers comprising the photo-cured of the monomer compounds	20210224
CN-112724373-B	Functional organic porous polymer and preparation method and application thereof	20201210
CN-112479928-A	Synthetic method of phenylacetonitrile aromatic mechanical response fluorescent material	20201203
RU-2752762-C1	Highly soluble triphenylamine-based catholyte and electrochemical current source based on it	20201026

PMID	Publication Date	Title	Journal
22508391	20120726	Synthesis of luminescent covalent-organic polymers for detecting nitroaromatic explosives and small organic molecules	Macromolecular rapid communications
20603548	20100701	Tris(4-bromophenyl)aminium hexachloridoantimonate ('Magic Blue'): a strong oxidant with low inner-sphere reorganization	Acta crystallographica. Section C, Crystal structure communications
20166687	20100315	Interaction of SbCl5(2-) and thioether groups at the open coordination sites of platinum(II) diimine complexes	Inorganic chemistry
19102623	20090115	Three-chromophore excited-state mixed valence	The journal of physical chemistry. A
18937481	20081120	Cycloreversion of azetidines via oxidative electron transfer. steady-state and time-resolved studies	Organic letters

Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	480.84994
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	478.85199
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.2