1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane - CAS 2043-55-2

Catalog:	BB015922
Product Name:	1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane
CAS:	2043-55-2
Synonyms:	1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
Description:	1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodohexane (CAS# 2043-55-2) is used as a reactant in organic reactions.
Molecular Weight:	373.99
Molecular Formula:	C6H4F9I
Canonical SMILES:	C(CI)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI:	InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2
InChI Key:	CXHFIVFPHDGZIS-UHFFFAOYSA-N
Boiling Point:	138 °C
Purity:	> 99.0 % (GC)
Density:	1.94 g/cm³
Appearance:	Liquid
MDL:	MFCD00039409
LogP:	4.27970

Publication Number	Title	Priority Date
US-2020399660-A1	Modified polyamine polymers for delivery of biomolecules into cells	20190624
EP-3787804-A1	Nano-coating protection method for electrical devices	20180504
EP-3638643-A1	Process for the preparation of semifluorinated alkanes using grignard reagents	20170612
WO-2018228975-A1	Process for the preparation of semifluorinated alkanes using grignard reagents	20170612
US-2020339492-A1	Process for the preparation of semifluorinated alkanes using grignard reagents	20170612

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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:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	373.92140
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	373.92140
Rotatable Bond Count:	4
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8