Perfluorooctyl iodide

HCID 10491CAS 507-63-1

Basic information

Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIKey
KWXGJTSJUKTDQU-UHFFFAOYSA-N
Molecular formula
C8F17I
Average molar mass
545.96 g/mol
Monoisotopic mass
545.87733

Names & identifiers

Preferred name
Perfluorooctyl iodide
IUPAC
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
English name
Perfluorooctyl iodide
Molecular formula
C8F17I
Molecular weight
545.96

Names & synonyms

Perfluorooctyl iodide507-63-1Heptadecafluoro-1-iodooctane1-Iodoperfluorooctane1-IodoheptadecafluorooctanePerfluoro-1-iodooctaneOctane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-DTXSID0060147072985Y799RefChem:171673DTXCID6040901208-079-5
Show more names
TI-8C1014NH7uorooctyLPerfluorooctyl iodinePerfluorooctyliodide98%
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctaneHeptadecafluoro-n-octyl IodideC8F17IMFCD00001064OCTANE, HEPTADECAFLUORO-1-IODO-Perfluoro-n-octyl IodideBRN 1717141EINECS 208-079-5

Database identifiers

CAS
507-63-1
PubChem CID
10491
DTXSID
DTXSID0060147
UNII
072985Y799
EC Number
208-079-5
Nikkaji
J97.538I

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
17
Rotatable bonds
6
Heavy atoms
26

Experimental & physicochemical properties

Physical Description · 2 items

Liquid

Clear light pink solid or liquid; mp = 25 deg C; [Acros Organics MSDS]

Physicochemical properties

Melting point
25 °C · 25 °C
Boiling point
160 · 160-161 °C(lit.)
Density
2.067 g/mL · 2.067 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.329(lit.)
Flash point
160 · 160-161°C
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 10.8% (7 of 65) of reports.

Warning

H315 (78.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (78.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (76.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (10.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

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 65 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 7 of 65 reports by companies.;There are 9 notifications provided by 58 of 65 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Heptadecafluoro-1-iodooctane;EC: 208-079-5;Date of inclusion in the POPs Regulation: 15-Jun-2020;POPs Regulation Annex: Annex I, part A; Annex IV

Hazards SummaryIntravenous LD50 (mouse) = 7,500 mg/kg; [RTECS] An irritant; [Acros Organics MSDS] See Perfluoromethylcyclohexane.
Hazard Classes and Categories · 2 items

Skin Irrit. 2 (78.5%);Eye Irrit. 2 (78.5%);STOT SE 3 (76.9%);Aquatic Chronic 4 (10.8%)

Hazardous to the aquatic environment (Long-term) - Category 4

Regulatory information

Regulatory Information · 3 items

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Heptadecafluoro-1-iodooctane;EC: 208-079-5;Date of inclusion in the POPs Regulation: 15-Jun-2020;POPs Regulation Annex: Annex I, part A; Annex IV

Safety data

F
8
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
RG9700050
ridadr
UN 2922

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

Substances used to allow enhanced visualization of tissues.

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.

Agents that increase energy expenditure and weight loss by neural and metabolic regulation.

Uses & manufacturing

U.S. Production2023: 250,000 - <550,000 lb;2022: 250,000 - <550,000 lb;2021: 250,000 - <550,000 lb;2020: 250,000 - <550,000 lb
Industry UsesIntermediate
Use Classification · 2 items

PFAS -> PFalkyliodides (PFAI)

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

General Manufacturing Information · 2 items

All Other Basic Organic Chemical Manufacturing

Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-: ACTIVE

Applications

UsesPerfluorooctyl 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.

UsesHeptadecafluoro-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.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
锦州恒通氟化学有限公司0418-2558700 · [email protected]

Related reactions

23 records

Linked notes

Loading…