Iodopentafluorobenzene - CAS 827-15-6

Catalog:	BB036888
Product Name:	Iodopentafluorobenzene
CAS:	827-15-6
Synonyms:	1,2,3,4,5-pentafluoro-6-iodobenzene

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	1,2,3,4,5-pentafluoro-6-iodobenzene
Description:	Iodopentafluorobenzene (CAS# 827-15-6) is a useful research chemical.
Molecular Weight:	293.96
Molecular Formula:	C6F5I
Canonical SMILES:	C1(=C(C(=C(C(=C1F)F)I)F)F)F
InChI:	InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChI Key:	OPYHNLNYCRZOGY-UHFFFAOYSA-N
Boiling Point:	161 °C
Density:	2.204 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00001032
LogP:	2.98670

Publication Number	Title	Priority Date
CN-111640870-A	Efficient perovskite solar cell and preparation method	20200616
CN-111640871-A	Perovskite solar cell capable of inhibiting photodecomposition of passivation layer and preparation method	20200616
CN-111440137-A	3, 4-benzocoumarin derivative and preparation method and application thereof	20200428
WO-2021210501-A1	Boron-containing compound, luminescent material, and luminescent element including same	20200415
KR-20210093101-A	Resist compound, method of forming pattern using the same, and method of manufacturing semiconductor device using the same	20200117

PMID	Publication Date	Title	Journal
22462863	20120328	UV photodissociation dynamics of iodobenzene: effects of fluorination	The Journal of chemical physics
22223321	20120215	Reduced fragmentation in liquid injection field desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry by use of helium for the thermalization of molecular ions	Rapid communications in mass spectrometry : RCM
21971998	20111101	rα Structures of partially oriented pentafluorobenzenes C6F5X (X = H, Cl, I) as determined from 19F NMR spectra with 13C satellites	Magnetic resonance in chemistry : MRC
21657266	20110803	Carbon-silicon and carbon-carbon bond formation by elimination reactions at metal N-heterocyclic carbene complexes	Journal of the American Chemical Society
21588152	20100710	1-[(2,3,4,5,6-Penta-fluoro-phen-yl)ethyn-yl]ferrocene	Acta crystallographica. Section E, Structure reports online

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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:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	293.89649
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	293.89649
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1