Basic information
- CAS
335-58-0- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I- InChIKey
AHUMDLIBMIYQMU-UHFFFAOYSA-N- Molecular formula
- C7F15I
- Average molar mass
- 495.95 g/mol
- Monoisotopic mass
- 495.88052
Names & identifiers
- Preferred name
- Perfluoroheptyl iodide
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodoheptane
- English name
- PERFLUORO-N-HEPTYL IODIDE
- Molecular formula
- C7F15I
- Molecular weight
- 495.96
Names & synonyms
Perfluoroheptyl iodide335-58-01-Iodoperfluoroheptane1-Iodopentadecafluoroheptane1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-7-iodoheptaneHeptane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodo-S5CHL3HC6DDTXSID5059828Perfluoro-1-iodoheptaneEINECS 206-393-7RefChem:860255DTXCID3038692
Show more names
C1014NH6Perfluoroheptyliodide97%Perfluoroheptyl iodide 97%Perfluoro-1-iodoheptane, 97%Perfluoro-n-heptyliodide,97%Perfluoro-n-heptyl iodide 97%
206-393-7Perfluoro-n-heptyl iodideMFCD00013712Pentadecafluoroheptyl IodideUNII-S5CHL3HC6DSCHEMBL18298831-Iodoperfluoroheptane (tech.)AKOS016015260
Database identifiers
- CAS
335-58-0- PubChem CID
- 67633
- DTXSID
DTXSID5059828- UNII
- S5CHL3HC6D
- EC Number
- 206-393-7
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Melting point
- -8 °C · -8°C(lit.)
- Boiling point
- 137 °C · 137 °C
- Density
- 2 · 2,01 g/cm3
- refractive index
- 1.329 · 1.329
- Flash point
- 137 · 137-138°C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Very Slightly)
- form
- Oil
- color
- Colourless to Yellow
- Sensitive
- Light Sensitive
- λmax
- 271 nm · 271nm(lit.)
- BRN
- 1806471 · 1806471
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2903780090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P271-P280
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHeptane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-iodo-: INACTIVE
Applications
UsesPerfluoroheptyl Iodide, is the starting material in the synthesis of Potassium Perfluoroheptanesulfonate (P698195). It is also a Polyfluorinated iodine alkanes (PFIs) derivative, which has shown to have potential estrogenic effects.
Upstream & downstream products
Downstream products
Suppliers40 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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