507-63-1

Basic information

• Product Name: Perfluorooctyl iodide
• Synonyms: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-octan;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-Octane;1-Iodoheptadecafluorooctane;1-iodoperfluorooctane98%;heptadecafluoro-1-iodo-octan;Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-;Octane, heptadecafluoro-1-iodo-
• CAS NO: 507-63-1
• Molecular Formula: C₈F₁₇I
• Molecular Weight: 545.96
• EINECS: 208-079-5
• Product Categories: Organic Fluorides;Fluorous Chemistry;Fluorous Compounds;Synthetic Organic Chemistry;Alkyl;Building Blocks;Chemical Synthesis;Fluorinated Building Blocks;F-Tagged;Halogenated Hydrocarbons;Organic Building Blocks;Organic Fluorinated Building Blocks;Thiophenes ,Thiazolines/Thiazolidines
• Mol File: 507-63-1.mol
• Article Data: 12

Chemical Properties

• Melting Point: 25 °C
• Boiling Point: 160-161 °C(lit.)
• Flash Point: 160-161°C
• Appearance: Clear colorless to yellow or light pink/Liquid After Melting
• Density: 2.067 g/mL at 20 °C(lit.)
• Vapor Pressure: 3.08mmHg at 25°C
• Refractive Index: n20/D 1.329(lit.)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
• Sensitive: Light Sensitive
• BRN: 1717141
• CAS DataBase Reference: Perfluorooctyl iodide(CAS DataBase Reference)
• NIST Chemistry Reference: Perfluorooctyl iodide(507-63-1)
• EPA Substance Registry System: Perfluorooctyl iodide(507-63-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39
• RIDADR: UN 2922
• WGK Germany: 3
• RTECS: RG9700050
• F: 8
• TSCA: T
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 507-63-1(Hazardous Substances Data)

Usage

Chemical Properties

clear light pink liquid after melting

Uses

Different sources of media describe the Uses of 507-63-1 differently. You can refer to the following data:
1. Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers.
2. Heptadecafluoro-1-iodooctane has been used as monodentate donor to investigate anion receptor complexes of mono-, bi- and tridentate donors with a variety of anions in the gas phase using both experimental and theoretical approaches.

Safety Profile

Slightly toxic by intravenous route. When heated to decomposition it emits toxic vapors of Fí and Ií.

InChI:InChI=1/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26

Upstream product

• 116-14-3 polytetrafluoroethylene 
• 354-64-3 Pentafluoroethyl iodide 
• 423-39-2 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane 
• 32395-49-6 Bis(pentafluoraethyl)-fluorarsan 
• 7553-56-2 iodine 
• 359-69-3 Tris(pentafluoraethyl)arsan 
• 1367879-47-7 C₆H₁₅N*C₈F₁₇I 
• 1367879-48-8 C₈F₁₇I*C₈H₁₈OS 
• 1367879-52-4 C₇H₁₃N*C₈F₁₇I 
• 1367879-50-2 C₈F₁₇I*C₁₂H₂₇OP 
• 307-35-7 perfluorooctyl sulfofluorure 
• 68555-67-9 Sodium n-perfluorooctanesulfinate 
• 355-43-1 n-perfluorohexyl iodide 

Downstream Products

• 335-65-9 hydroperfluorooctane 
• 307-34-6 Perfluorooctane 
• 132815-95-3 PhSeC₈F₁₉ 
• 143760-67-2 3-Heptadecafluorooctyl-2-phenylselanyl-tetrahydro-pyran 
• 355-49-7 perfluorocetane 
• 375-95-1 perfluorononanoic acid 
• 92746-93-5 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-nonanoic acid 2-hydroxy-ethyl ester 
• 84108-43-0 [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-(1-methyl-1-nitro-ethyl)-decyl]-benzene 
• 81665-03-4 2-(perfluorooctyl)-2-nitropropane 
• 335-67-1 Perfluorooctanoic acid 
• 113999-60-3 1-phenyl-2-(perfluorooctyl)propene 
• 78960-67-5 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-phenylnonan-1-one 
• 133405-24-0 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10,10-dimethoxy-undecane 
• 133377-50-1 2-Heptadecafluorooctyl-1,1-dimethoxy-cyclohexane 

Relevant articles and documents

Production method of fluoroalkyl iodide

The invention discloses a production method of a fluoroalkyl iodide, and particularly discloses a production method of a fluoroalkyl iodide as shown in a formula (I) as shown in the specification. Theproduction method of the fluoroalkyl iodide as shown in the formula (I) as shown in the specification comprises the following step: in a first solvent, subjecting a compound as shown in a formula (II) as shown in the specification and an iodide to an iodination reaction as shown in the specification. The raw materials used in the method are easy to obtain, and prices are low; and the method is high in conversion rate and yield, and the tolerability to functional groups is high.

Thermodynamics of halogen bonding in solution: Substituent, structural, and solvent effects

A detailed study of the thermodynamics of the halogen-bonding interaction in organic solution is presented. 19F NMR titrations are used to determine association constants for the interactions of a variety of Lewis bases with fluorinated iodoalkanes and iodoarenes. Linear free energy relationships for the halogen bond donor ability of substituted iodoperfluoroarenes XC 6F4I are described, demonstrating that both substituent constants (σ) and calculated molecular electrostatic potential surfaces are useful for constructing such relationships. An electrostatic model is, however, limited in its ability to provide correlation with a more comprehensive data set in which both halogen bond donor and acceptor abilities are varied: the ability of computationally derived binding energies to accurately model such data is elucidated. Solvent effects also reveal limitations of a purely electrostatic depiction of halogen bonding and point to important differences between halogen bonding and hydrogen bonding.

Fluoroalkyl iodide and its production process

A process for producing a fluoroalkyl iodide as a telomer Rf(CF2CF2)nI (wherein Rf is a C1-10 fluoroalkyl group, and n is an integer of from 1 to 6) by telomerization from a fluoroalkyl iodide represented by the formula RfI (wherein Rf is as defined above) as a telogen and tetrafluoroethylene (CF2CF2) as a taxogen, which comprises a liquid phase telomerization step of supplying a homogeneous liquid mixture of the telogen and the taxogen from the lower portion of a tubular reactor, moving the mixture from the lower portion towards the upper portion of the reactor in the presence of a radical initiator over a retention time of at least 5 minutes while the reaction system is kept in a liquid phase state is under conditions where no gas-liquid separation will take place, so that the taxogen supplied to the reactor is substantially consumed by the reaction in the reactor, and drawing the reaction product from the upper portion of the reactor.