4-Bromo-2,3,5,6-tetrafluoropyridine - CAS 3511-90-8

Catalog:	BB022478
Product Name:	4-Bromo-2,3,5,6-tetrafluoropyridine
CAS:	3511-90-8
Synonyms:	4-bromo-2,3,5,6-tetrafluoropyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2,3,5,6-tetrafluoropyridine
Description:	4-Bromo-2,3,5,6-tetrafluoropyridine (CAS# 3511-90-8) is a useful research chemical.
Molecular Weight:	229.96
Molecular Formula:	C5BrF4N
Canonical SMILES:	C1(=C(C(=C(N=C1F)F)F)Br)F
InChI:	InChI=1S/C5BrF4N/c6-1-2(7)4(9)11-5(10)3(1)8
InChI Key:	YZCGGIUJABHGRQ-UHFFFAOYSA-N
Boiling Point:	134-135 °C (lit.)
Density:	1.92 g/cm³
MDL:	MFCD00075169
LogP:	2.40050

Publication Number	Title	Priority Date
CN-110872298-A	Condensed ring aryl compound, organic electronic device and application thereof	20191115
CN-110872310-A	Condensed ring aryl compound, organic electronic device and application thereof	20191115
US-2021305517-A1	Composition of matter for use in organic light-emitting diodes	20181009
US-2007215866-A1	Novel molecular structures with controllable electron conducting properties	20060320
US-7667043-B2	Molecular structures with controllable electron conducting properties	20060320

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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:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.91502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.91502
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6