2-(tert-Butyl)anthracene - CAS 18801-00-8

Catalog:	BB014482
Product Name:	2-(tert-Butyl)anthracene
CAS:	18801-00-8
Synonyms:	2-tert-butylanthracene

Technical Data

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Computed Properties

IUPAC Name:	2-tert-butylanthracene
Description:	2-(tert-Butyl)anthracene (CAS# 18801-00-8 ) is a useful research chemical.
Molecular Weight:	234.34
Molecular Formula:	C18H18
Canonical SMILES:	CC(C)(C)C1=CC2=CC3=CC=CC=C3C=C2C=C1
InChI:	InChI=1S/C18H18/c1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12H,1-3H3
InChI Key:	WBPXZSIKOVBSAS-UHFFFAOYSA-N
Boiling Point:	376.4 °C at 760 mmHg
Purity:	> 98.0 % (GC)
Density:	1.044 g/cm³
MDL:	MFCD00003581
LogP:	5.29050

Publication Number	Title	Priority Date
CN-112973790-A	Zirconium-based alkylation catalyst and preparation method and application thereof	20210205
JP-2020188282-A	Mixing material for light emitting element and light emitting element	20200804
US-2021336151-A1	Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device	20200428
US-2021336176-A1	Light-Emitting Device, Metal Complex, Light-Emitting Apparatus, Electronic Apparatus, and Lighting Device	20200428
CN-113493389-A	Arylamine compound, material for hole transport layer and hole injection layer, light-emitting device and device, electronic device, and lighting device	20200403

PMID	Publication Date	Title	Journal
18154380	20071221	Comprehensive photoelectron spectroscopic study of anionic clusters of anthracene and its alkyl derivatives: electronic structures bridging molecules to bulk	The Journal of chemical physics

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Related Functional Groups

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Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.140850574
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.140850574
Rotatable Bond Count:	1
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.8