3,5-Di-tert-butylphenylboronic Acid - CAS 197223-39-5

Catalog:	BB015237
Product Name:	3,5-Di-tert-butylphenylboronic Acid
CAS:	197223-39-5
Synonyms:	(3,5-ditert-butylphenyl)boronic acid; (3,5-ditert-butylphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3,5-ditert-butylphenyl)boronic acid
Description:	3,5-Di-tert-butylphenylboronic Acid (CAS# 197223-39-5) is a useful research chemical.
Molecular Weight:	234.14
Molecular Formula:	C14H23O2B
Canonical SMILES:	B(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)(O)O
InChI:	InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3
InChI Key:	RPCBIEHUQSGPNA-UHFFFAOYSA-N
Boiling Point:	333.059 °C at 760 mmHg
Density:	0.982 g/cm³
MDL:	MFCD07780212
LogP:	1.96140

Publication Number	Title	Priority Date
KR-102301612-B1	An electroluminescent compound and an electroluminescent device comprising the same	20200622
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
DE-102021107060-A1	Arylamine compound, material for hole transport layer, material for hole injection layer, light-emitting device, light-emitting device, electronic device and lighting device	20200403

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Related Functional Groups

Boronic Acids and Esters

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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

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.1791101
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	234.1791101
Rotatable Bond Count:	3
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0