8:1 Fluorotelomer alcohol
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Basic information
- CAS
423-56-3- Standard SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
BSXJTDJJVULBTQ-UHFFFAOYSA-N- Molecular formula
- C8F17CH2OH
- Average molar mass
- 450.09 g/mol
- Monoisotopic mass
- 449.9912435
Names & identifiers
- Preferred name
- 8:1 Fluorotelomer alcohol
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-ol
- English name
- 1H,1H-PERFLUORO-1-NONANOL
- Molecular formula
- C9H3F17O
- Molecular weight
- 450.09
Names & synonyms
8:1 Fluorotelomer alcoholDTXSID80336475RefChem:4350858-1 fluorotelomer alcoholDTXCID302875641H,1H-Perfluoro-1-nonanol423-56-31h,1h-perfluorononan-1-ol2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-ol1H,1H-Heptadecafluoro-1-nonanolMFCD001531832,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-1-nonanol
Show more names
8:1 FTOH2,2,3,3,4,4,5,5,61H,1H-HEPTADECAFLUORONONANOL1H,1H-Perfluorononan-1-ol98%Heptadecafluorooctylmethanol1H,1H-Perfluorononan-1-ol 98%
butyryltrihexylcitratePerfluorooctylmethanolSCHEMBL500248AKOS0159125501-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-D910171h,1h-perfluorononanol2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-1-nonanol; (Heptadecafluorooctyl)methanol; 1,1-Dihydroperfluoro-1-nonanol; 1,1-Dihydroperfluoronon-1-yl Alcohol; 1H,1H-Perfluoro-1-nonanol; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanol
Database identifiers
- CAS
423-56-3- PubChem CID
- 533991
- DTXSID
DTXSID80336475- EC Number
- 670-435-4
- Nikkaji
- J119.069E
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Experimental & physicochemical properties
PFAS
PFAS -> Fluorotelomer based substances
PFAS -> Other/unspecified
PFAS -> F-telomer alcohols (FTOH)
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 66 · 66-69 °C (lit.)
- Boiling point
- 176 °C/740 · 176 °C/740 mmHg (lit.)
- Density
- 1.666 · 1.6660 (estimate)
- Flash point
- 176 °C · 176°C
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.88 · 12.88±0.10(Predicted)
- color
- White to Off-White
- Water Solubility
- Insoluble in water.
- BRN
- 1809099 · 1809099
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
Danger
H302+H332 (33.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29055900
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Liver
- Hazard statements
- H302+H332-H318-H351-H360D-H362-H372
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
Chemistry & industry
Uses & manufacturing
Use Classification
PFAS -> F-telomer alcohols (FTOH)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
Uses1H,1H-Perfluoro-1-nonanol is used to produce other chemicals. For example, it is used to produce Trifluoro-methanesulfonic acid 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-nonyl ester. This reaction needs reagent Pyridine and solvent CHCl3
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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