Perfluorohexane

PERFLUOROHEXANE · FC-72 · FLUORINERT · TETRADECAFLUOROHEXANE · PFC-51-14 · FLUORINERT FC-72 · PERFLUOROHEXANES · n-Perfluorohexane

https://huagongshe.com/en/chemical/9639

Identifiers & Physical Properties

CAS No.	355-42-0
Molecular formula	C6F14
Average molar mass	338.04 g/mol
Monoisotopic mass	337.97764508 g/mol
SMILES	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey	ZJIJAJXFLBMLCK-UHFFFAOYSA-N
PubChem CID	9639
ChEMBL	CHEMBL1200607
ChEBI	CHEBI:39427
EC No.	206-585-0
DTXSID	DTXSID7046548

Chemical & Physical Properties

XLogP	5.1
Topological polar surface area	0
Hydrogen bond donors	0
Hydrogen bond acceptors	14
Rotatable bonds	3
Heavy atoms	20
Formal charge	0
Complexity	319
Chemical classes	Other Classes -> Halogenated Aliphatics, Saturated
PFAS	PFAS -> Intentionally added food contact chemicalsPFAS -> Other/unspecifiedPFAS -> non-polymerPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008PFAS -> Other Nonpolymers
Drugs	Pharmaceuticals -> Various
SpringerMaterials Properties	19F nuclear magnetic resonance spectrum
Odor	Odorless
Food additives	Use unspecified -> FDA Substance added to food
Density	1.6910 g/cu cm at 20 °CDensity: 1.7560 at 0 °C1.66970 at 25 °C (air satd. 1 atm)1.6717 at 25 °C (degassed, equilibrium vapor pressure).1.6995 @ 20°C1.669 g/mL at 25 °C(lit.)
Viscosity	9.79 mP at 0 °C
Color/Form	Course, transparent, needle-like crystalsLiquidColorless radiolucent liquid
Solubility	Soluble in ethyl ether, benzene, chloroformImmiscible with water.
Human Drugs	FDA approved drugs -> Active ingredient
Boiling point	57.2 °C56.6 °C @760 [mm Hg]58-60 °C(lit.)
Melting point	−4 °C(lit.)
Vapor pressure	26.5kPa at 25℃
Refractive index	n20/D 1.252(lit.)
Flash point	56-60°C
Physical state	Liquid
Specific gravity	1.699
Color	Clear colorless
Thermal conductivity	0.064 W/(m·K) at 25 ℃
Merck	14,7157
BRN	1802113
Henry's law constant	9.3×10-9 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant	1.5700000000000001
Stability	Stable. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions	SOLVENT
InChI	1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20
InChIKey	ZJIJAJXFLBMLCK-UHFFFAOYSA-N
SMILES	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
LogP (partition coefficient)	4.5 at 20℃ and pH7
Surface tension	11.91mN/m at 20°C
Indirect Additives used in Food Contact Substances	PERFLUOROHEXANE
Substances Added to Food (formerly EAFUS)	perfluorohexane
FDA 21 CFR	173.342
CAS DataBase Reference	355-42-0(CAS DataBase Reference)
EWG's Food Scores	4
FDA UNII	FX3WJ41CMX
EPA Substance Registry System	Perfluorohexane (355-42-0)
UNSPSC Code	12352100
NACRES	NA.22
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H412
GHS precautionary statements	P273-P501
Personal protective equipment (PPE)	Eyeshields, Gloves
Hazard symbols	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-36
UN transport number	2810
Water hazard class (WGK)	3
RTECS number	MO4310000
Hazard Note	Irritant
TSCA inventory status	TSCA listed
Hazard class	6.1(b)Aquatic Chronic 3
Packing group	III
Customs code	29033990
Storage class	10 - Combustible liquids
Hazardous substances data	355-42-0(Hazardous Substances Data)
REACH registrations	Active

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for 1.9% (2 of 107) of reports.WarningH315 (70.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 107 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information	Chemical: Hexane, tetradecafluoro-Status: Active Update: 11-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28093Tetradecafluorohexane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards summary	An irritant[MSDSonline] See Perfluoro compounds, C5-18.
TSCA requirements	Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 9/30/91Reporting date: 11/27/91.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Perfluoro-N-hexane is included on this list. Effective date 9/30/91Sunset date: 12/19/95.
Toxic Combustion Products	Special hazards arising from the substance or mixture: Carbon oxides, Hydrogen fluoride
Hazard Classes and Categories	Skin Irrit. 2 (70.1%)
Hazardous Reactivities and Incompatibilities	Incompatible materials: Strong oxidizing agents
Fire fighting procedures	Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Applications & Uses

Uses

Tetradecafluorohexane is used in the electronics industry as a coolant and test bath medium. Non-toxic, non-ozone-depleting, inert reaction medium.

Uses

Perfluorohexanes is used as a coolant, photosensitizer in fluorous biphasic singlet oxygenation and an inert reaction medium. It is used in the electronic cooling liquid and insulator. It plays a vital role as a reaction medium, especially for photooxidation reactions. Further, it finds application as an ultrasound contrast agent.

Uses

Tetradecafluorohexane has been used:as a fluorocarbon organic solvent in the preparation of temperature-induced phase-separation solutionto investigate boiling heat transfer mechanisms as a photosensitizer in fluorous biphasic singlet oxygenation as a novel reaction medium for photooxidation reactions

General Description

Tetradecafluorohexane in the gas phase reacts spontaneously with lithium amalgam, to give a solid and intimate mixture of lithium fluoride and elemental polymeric carbon with a small amount of superstoichiometric lithium.