4,4'-Di-tert-butyl-2,2'-dipyridyl - CAS 72914-19-3

Name: 4,4'-Di-tert-butyl-2,2'-dipyridyl
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034723
Product Name:	4,4'-Di-tert-butyl-2,2'-dipyridyl
CAS:	72914-19-3
Synonyms:	4,4'-Di-tert-butyl-2,2'-bipyridine; 4-tert-Butyl-2-(4-tert-butyl-2-pyridyl)pyridine; 2,2'-Bipyridine, 4,4'-bis(1,1-dimethylethyl)-; 4,4'-Bis(di-t-butyl)-2,2'-bipyridine

Technical Data

IUPAC Name:	4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine
Description:	2,2'-Bipyridyl has been used in the preparation of copper(II)-bipyridine-naringenin complex. It may be used in the preparation of 2,2'-bipyridyl hydrobromide.
Molecular Weight:	268.40
Molecular Formula:	C18H24N2
Canonical SMILES:	CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C
InChI:	InChI=1S/C18H24N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h7-12H,1-6H3
InChI Key:	TXNLQUKVUJITMX-UHFFFAOYSA-N
Boiling Point:	395.4±42.0 °C (Predicted)
Melting Point:	159-161 °C (lit.)
Flash Point:	228.2 °F
Purity:	98%
Density:	0.977 g/cm³
Solubility:	Soluble in DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
Appearance:	White to Off-white Solid
Storage:	Store at RT
MDL:	MFCD01863731
LogP:	4.73860
Refractive Index:	n20/D 1.519

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

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PMID	Publication Date	Title	Journal
23018189	20121114	Ru-based donor-acceptor photosensitizer that retards charge recombination in a p-type dye-sensitized solar cell	Dalton transactions (Cambridge, England : 2003)
22816387	20120817	Ir-catalyzed direct borylation at the 4-position of pyrene	The Journal of organic chemistry
22684499	20120721	Tailoring carrier injection efficiency to improve the carrier balance of solid-state light-emitting electrochemical cells	Physical chemistry chemical physics : PCCP
22731752	20120706	Iridium-catalyzed, substrate-directed C-H borylation reactions of benzylic amines	Organic letters
22676275	20120618	Scrutinizing low-spin Cr(II) complexes	Inorganic chemistry

Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.193948774
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	268.193948774
Rotatable Bond Count:	3
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8