2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile - CAS 16297-07-7

Catalog:	BB011928
Product Name:	2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile
CAS:	16297-07-7
Synonyms:	2,3,5,6-tetrafluoropyridine-4-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3,5,6-tetrafluoropyridine-4-carbonitrile
Description:	2,3,5,6-Tetrafluoro-4-pyridinecarbonitrile (CAS# 16297-07-7) is a useful research chemical.
Molecular Weight:	176.07
Molecular Formula:	C6F4N2
Canonical SMILES:	C(#N)C1=C(C(=NC(=C1F)F)F)F
InChI:	InChI=1S/C6F4N2/c7-3-2(1-11)4(8)6(10)12-5(3)9
InChI Key:	JXISJBVJNUKKBK-UHFFFAOYSA-N
Boiling Point:	166.1 ℃ at 760 mmHg
Density:	1.56 g/cm³
Appearance:	Whiite powder, crystals and/or chunks
MDL:	MFCD00075302
LogP:	1.50968

Publication Number	Title	Priority Date
CN-110624610-A	Visible light photocatalyst for synthesizing water gas and preparation and application thereof	20191029
CN-110624610-B	Visible light photocatalyst for synthesizing water gas and preparation and application thereof	20191029
JP-2020031162-A	Organic electroluminescence device	20180823
WO-2020039708-A1	Organic electroluminescence element	20180823
CN-112602206-A	Organic electroluminescent element	20180823

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.99976066
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.99976066
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6