Basic information
- CAS
40723-80-6- Standard SMILES
FC(F)(F)C(F)(F)CCI- InChIKey
PPXVPFPTMXFUDE-UHFFFAOYSA-N- Molecular formula
- C4H4F5I
- Average molar mass
- 273.97 g/mol
Names & identifiers
- Preferred name
- 1,1,1,2,2-Pentafluoro-4-iodobutane
- IUPAC
- 1,1,1,2,2-pentafluoro-4-iodobutane
- English name
- 1,1,1,2,2-Pentafluoro-4-iodobutane
- Molecular formula
- C4H4F5I
- Molecular weight
- 273.97
Names & synonyms
1,1,1,2,2-Pentafluoro-4-iodobutane40723-80-6Butane, 1,1,1,2,2-pentafluoro-4-iodo-PR0N2JQF4XRefChem:1051643255-055-54-iodo-1,1,1,2,2-pentafluorobutane3,3,4,4,4-pentafluoro-1-iodobutaneMFCD001559102:2 Fluorotelomer iodide1-iodo-3,3,4,4,4-pentafluorobutane1,1,2,2-Tetrahydroperfluorobutyl iodide
Show more names
1H,1H,2H,2H-PERFLUOROBUTYL IODIDEuorobutane4-Iodo-1,1,1,2,2-pentafL1,1,1,2,2-pentafluoro-4-iodo-butan
2-Perfluoroethyl Ethyl IodideC4H4F5IEINECS 255-055-53,3,4,4,4-Pentafluorobutyl Iodideperfluoroethylethyl iodideUNII-PR0N2JQF4XCF3CF2CH2CH2ISCHEMBL323063
Database identifiers
- CAS
40723-80-6、68390-32-9、85995-91-1- PubChem CID
- 110092
- DTXSID
DTXSID8068250- UNII
- PR0N2JQF4X
- EC Number
- 255-055-5、289-100-5
- Nikkaji
- J128.985C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 107
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 100 · 100-101 °C (lit.)
- Density
- 1.936 g/mL · 1.936 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.391
- Flash point
- 35 ℃ · 35℃
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- soluble in Chloroform, Methanol
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2
- InChIKey
- PPXVPFPTMXFUDE-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)C(F)(F)CCI
- CAS DataBase Reference
- 40723 · 40723-80-6(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (95.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Hazard information
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
Status: Cease Manufacture Update: 23-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10801
Hazard Classes and Categories
Acute Tox. 3 (95.3%)
Not Classified
Safety data
- F
- 8
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29037990
- risk_code
- 25-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-45
- hazard_class
- TOXIC
- Storage Class
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 1,1,1,2,2-pentafluoro-4-iodo-: INACTIVE
Applications
Uses1,1,1,2,2-Pentafluoro-4-iodobutane is a reactant in the synthesis of fluorous imidazolium chloride ionic liquids with the ability to dissolve cellulose.
Upstream & downstream products
Upstream raw materials
Suppliers79 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
24 records
Compound notes
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