Basic information
- CAS
423-39-2- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I- InChIKey
PGRFXXCKHGIFSV-UHFFFAOYSA-N- Molecular formula
- C4F9I
- Average molar mass
- 345.93 g/mol
- Monoisotopic mass
- 345.89010198
Overview
is a promising alternative to chlorofluorocarbon solvents used in aircraft ground maintenance operations
Names & identifiers
- Preferred name
- Perfluorobutyl iodide
- IUPAC
- 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane
- English name
- Perfluorobutyl iodide
- Molecular formula
- C4F9I
- Molecular weight
- 345.93
Names & synonyms
Perfluorobutyl iodide423-39-2Nonafluoro-1-iodobutaneNonafluorobutyl iodide1,1,1,2,2,3,3,4,4-Nonafluoro-4-iodobutaneperfluoro-n-butyl iodideButane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-N4357HS8BYDTXSID0047583n-nonafluorobutyliodidePFBI solvent4-iodoperfluorobutane
Show more names
PerfluoroiodobutaneC1014NH3uorobutyLPERFLUOROBUTYL IODODE1-Iodoperfluorobutane
RefChem:171647DTXCID80275831,1,2,2,3,3,4,4,4-nonafluoro-1-iodobutane207-025-8perfluorobutyliodide1-Iodononafluorobutanen-Nonafluorobutyl iodideC4F9I
Database identifiers
- CAS
423-39-2- PubChem CID
- 67917
- DTXSID
DTXSID0047583- UNII
- N4357HS8BY
- EC Number
- 207-025-8
- Nikkaji
- J97.534F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
SpringerMaterials PropertiesOptical coefficient
Physical Description
Liquid
Colorless to pinkish liquid with a pungent odor; [3M MSDS]
Physicochemical properties
- Melting point
- -88 °C · -88 °C
- Boiling point
- 66 · 66-67 °C
- Density
- 2.01 g/mL · 2.01 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.3285(lit.)
- Flash point
- None
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- Specific Gravity
- 2.01 · 2.010
- color
- Clear purple
- Water Solubility
- immiscible
- Sensitive
- Light Sensitive
- BRN
- 1777546 · 1777546
- Stability
- Stable. Incompatible with bases.
- InChI
- 1S/C4F9I/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
- InChIKey
- PGRFXXCKHGIFSV-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)I
- CAS DataBase Reference
- 423 · 423-39-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4357 HS8BY · N4357HS8BY
- NIST Chemistry Reference
- 1 · 1-Iodononafluorobutane(423-39-2)
- EPA Substance Registry System
- 1 · Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo- (423-39-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411
- Precautionary statements
- 273 · P273-P391-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- RTECS
- 5360000 · EK5360000
- F
- 8 · 8
- Hazard Note
- Irritant/Light Sensitive
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29034700 · 29034700
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 · Aquatic Chronic 2
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (85.7%): 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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-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)
Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes respiratory depression in acute inhalation studies of rats; Causes excitement and arrhythmias in acute inhalation studies of dogs; Causes somnolence and changes in liver weight in 4-week intermittent inhalation studies of rats; [RTECS] A mild skin and eye irritant; [3M MSDS] See 2,2,3-Trichloroheptafluorobutane and Perfluorobutane.
Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)
Toxicology
Toxicity DataLC50 (rat) = 14,000 ppm/4hr
Safety data
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EK5360000
- ridadr
- 2810
- hs_code
- 29034700
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- Xi
- hazard_note
- Irritant/Light Sensitive
- safety_code
- 26-36-37/39
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H411
- Hazard Classifications
- Aquatic Chronic 2
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Uses & manufacturing
UsesUsed as a chemical intermediate; [3M MSDS]
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information
Plastics Material and Resin Manufacturing
Butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-: ACTIVE
Applications
DescriptionPerfluorobutyl iodide (PFBI) is a promising alternative to chlorofluorocarbon solvents used in aircraft ground maintenance operations and other military and commercial operations because it cleans well, has zero ozone depletion potential, and has extremely low global warming properties. Perfluorobutyl iodides also could used as gain media for a solar-pumped laser amplifier. This compound is usually utilized as perfluoroalkyl radical precursors[1–3].
UsesPerfluorobutyl Iodide is used as an organocatalyst in some polymerization reactions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Related reactions
19 records
Compound notes
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