Perfluorohexyl bromide - CAS 335-56-8

Catalog:	BB021771
Product Name:	Perfluorohexyl bromide
CAS:	335-56-8
Synonyms:	1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
Description:	Perfluorohexyl bromide (CAS# 335-56-8) is a useful research chemical.
Molecular Weight:	398.95
Molecular Formula:	C6BrF13
Canonical SMILES:	C(C(C(C(F)(F)Br)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI:	InChI=1S/C6BrF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
InChI Key:	JTYRBFORUCBNHJ-UHFFFAOYSA-N
Boiling Point:	100 °C
Density:	1.871 g/mL at 25°C(lit.)
MDL:	MFCD00042349
LogP:	5.07760

Publication Number	Title	Priority Date
CN-112221538-A	Preparation method of fluoroalkyl modified cellulose supported palladium catalyst	20201012
US-2021324312-A1	Body cube and process for culturing tissue	20200417
JP-2021134205-A	Method for producing fluorine-containing compound	20200226
WO-2021140837-A1	Fluororubber composition	20200107
WO-2021067495-A1	Micron sized droplets with solid endoskeleton or exoskeleton which tunes the thermal stability of the liquid droplets	20191004

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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

Complexity:	366
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	397.89758
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	13
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	397.89758
Rotatable Bond Count:	4
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.6