1,4-Diiodotetrafluorobenzene - CAS 392-57-4

Name: 1,4-Diiodotetrafluorobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1,2,4,5-tetrafluoro-3,6-diiodobenzene
Description:	1,4-Diiodotetrafluorobenzene (CAS# 392-57-4) is potential therapeutic agents, Polymethoxylated Flavones Isolated from Kaempferia Parviflora for cataract prevention through inhibition of matrix metalloproteinase-9 in lens epithelial cells.
Molecular Weight:	401.87
Molecular Formula:	C6F4I2
Canonical SMILES:	C1(=C(C(=C(C(=C1I)F)F)I)F)F
InChI:	InChI=1S/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChI Key:	VIXRAZODEODOJF-UHFFFAOYSA-N
Boiling Point:	252.4 °C at 760 mmHg
Melting Point:	108-110 °C
Purity:	95 %
Density:	2.671 g/cm³
Appearance:	White powder or crystals
MDL:	MFCD00001055
LogP:	3.45220

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22511542	20120529	Quantifying homo- and heteromolecular hydrogen bonds as a guide for adduct formation	Chemistry (Weinheim an der Bergstrasse, Germany)
22590313	20120501	Cyclo-hexa-2,5-diene-1,4-dione-1,2,4,5-tetra-fluoro-3,6-diiodo-benzene (1/1)	Acta crystallographica. Section E, Structure reports online
22353010	20120315	Energetic effects between halogen bonds and anion-π or lone pair-π interactions: a theoretical study	The journal of physical chemistry. A
21180747	20110307	Observation of a two-dimensional halogen-bonded cocrystal at sub-monolayer coverage using synchrotron X-ray diffraction	Chemical communications (Cambridge, England)
21589066	20101023	1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-2,3-bis-(pyridin-2-yl)pyrazine (1/1)	Acta crystallographica. Section E, Structure reports online

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	401.80256
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	401.80256
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6