4,5-Dibromophthalonitrile - CAS 86938-64-9

Catalog:	BB038128
Product Name:	4,5-Dibromophthalonitrile
CAS:	86938-64-9
Synonyms:	4,5-dibromobenzene-1,2-dicarbonitrile; 4,5-dibromobenzene-1,2-dicarbonitrile

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BB038128	1 g	$519	In stock

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Computed Properties

IUPAC Name:	4,5-dibromobenzene-1,2-dicarbonitrile
Description:	4,5-Dibromophthalonitrile (CAS# 86938-64-9 ) is a useful research chemical.
Molecular Weight:	285.92
Molecular Formula:	C8H2Br2N2
Canonical SMILES:	C1=C(C(=CC(=C1Br)Br)C#N)C#N
InChI:	InChI=1S/C8H2Br2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
InChI Key:	GWFFZICBNFSEIX-UHFFFAOYSA-N
LogP:	2.95496

Publication Number	Title	Priority Date
WO-2021153168-A1	Compound, light-emitting material and organic light-emitting element	20200131
KR-20190063648-A	Organic compounds, organic light emitting diode and organic light emittid device having the compounds	20171130
US-10392387-B2	Substituted benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,8]naphthyridines, benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,5]naphthyridines and dibenzo[f,h]benzo[4,5]imidazo[2,1-a]pyrazino[2,3-c]isoquinolines as thermally assisted delayed fluorescent materials	20170519
US-2018334459-A1	Thermally assisted delayed fluorescent materials with triad-type materials	20170519
US-2020071330-A1	Thermally assisted delayed fluorescent materials with triad-type materials	20170519

PMID	Publication Date	Title	Journal
19035663	20090102	A novel modular approach to triazole-functionalized phthalocyanines using click chemistry	The Journal of organic chemistry

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.85642
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.85847
Rotatable Bond Count:	0
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7