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1-Bromo-2,4,6-tricyclohexylbenzene

1-Bromo-2,4,6-tricyclohexylbenzene - CAS 97443-80-6

Catalog:	BB042052
Product Name:	1-Bromo-2,4,6-tricyclohexylbenzene
CAS:	97443-80-6
Synonyms:	2-bromo-1,3,5-tricyclohexylbenzene

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1,3,5-tricyclohexylbenzene
Description:	1-Bromo-2,4,6-tricyclohexylbenzene (CAS# 97443-80-6) is used for preparation of bulky biarylphosphine and uses as ligands in Pd-catalyzed C-O cross-coupling of aryl halides with phenols.
Molecular Weight:	403.44
Molecular Formula:	C24H35Br
Canonical SMILES:	C1CCC(CC1)C2=CC(=C(C(=C2)C3CCCCC3)Br)C4CCCCC4
InChI:	InChI=1S/C24H35Br/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/h16-20H,1-15H2
InChI Key:	WAMFJXQPJPAGHX-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	8.59220

Publication Number	Title	Priority Date
CN-111233932-A	Chiral phosphoric acid with spiro indane skeleton and preparation method and application thereof	20200221
WO-2021044262-A1	Light-emitting device, display device, electronic appliance, organic compound, and illuminator	20190906
CN-107141188-B	Asymmetric ring opening method and application of 3-substituted oxetane	20160425
JP-2014219679-A	Actinic ray-sensitive or radiation-sensitive resin composition, and pattern formation method using the composition	20140616
JP-2014219680-A	Actinic ray-sensitive or radiation-sensitive resin composition, and pattern formation method using the composition	20140616

PMID	Publication Date	Title	Journal
21201406	20080104	Monoclinic form of 1,2,4,5-tetra-cyclo-hexyl-benzene	Acta crystallographica. Section E, Structure reports online
21200896	20071221	1-Bromo-2,4,6-tricyclo-hexyl-benzene	Acta crystallographica. Section E, Structure reports online

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Complexity:	359
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	402.19221
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	402.19221
Rotatable Bond Count:	3
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	10.2