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2'-Bromo-5'-phenyl-1,1':3',1''-terphenyl

2'-Bromo-5'-phenyl-1,1':3',1''-terphenyl - CAS 10368-73-7

Catalog:	BB001199
Product Name:	2'-Bromo-5'-phenyl-1,1':3',1''-terphenyl
CAS:	10368-73-7
Synonyms:	2-bromo-1,3,5-triphenylbenzene; 2-bromo-1,3,5-triphenylbenzene

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Computed Properties

IUPAC Name:	2-bromo-1,3,5-triphenylbenzene
Description:	2'-Bromo-5'-phenyl-1,1':3',1''-terphenyl (CAS# 10368-73-7) is a useful research chemical.
Molecular Weight:	385.30
Molecular Formula:	C24H17Br
Canonical SMILES:	C1=CC=C(C=C1)C2=CC(=C(C(=C2)C3=CC=CC=C3)Br)C4=CC=CC=C4
InChI:	InChI=1S/C24H17Br/c25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20/h1-17H
InChI Key:	JQAGNDRJKSDTEU-UHFFFAOYSA-N
Boiling Point:	479.7 °C at 760 mmHg
Density:	1.278 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	7.45010

Publication Number	Title	Priority Date
WO-2021149773-A1	Organic electroluminescent element	20200122
WO-2021149735-A1	Arylamine compound and organic electroluminescent element	20200121
WO-2021122740-A1	Polycyclic compounds for organic electroluminescent devices	20191219
WO-2021058406-A1	Materials for organic electroluminescent devices	20190924
EP-3502106-A1	Triazine compounds substituted with bulky groups	20171221

PMID	Publication Date	Title	Journal
20718434	20100908	Mechanistic elucidation of the formation of the inverse Ca(I) sandwich complex [(thf)3Ca(mu-C6H3-1,3,5-Ph3)Ca(thf)3] and stability of aryl-substituted phenylcalcium complexes	Journal of the American Chemical Society
19193100	20090304	Stable 'inverse' sandwich complex with unprecedented organocalcium(I): crystal structures of [(thf)(2)Mg(Br)-C(6)H(2)-2,4,6-Ph(3)] and [(thf)(3)Ca{mu-C(6)H(3)-1,3,5-Ph(3)}Ca(thf)(3)]	Journal of the American Chemical Society

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	359
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	384.05136
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	384.05136
Rotatable Bond Count:	3
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.5