Basic information
- CAS
376-18-1- 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- InChIKey
MSXVQELLSMPBFD-UHFFFAOYSA-N- Molecular formula
- CF2HC7F14CH2OH
- Average molar mass
- 432.1 g/mol
- Monoisotopic mass
- 432.0006653
Names & identifiers
- Preferred name
- 1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-ol
- English name
- 1H,1H,9H-Hexadecafluoro-1-nonanol
- Molecular formula
- C9H4F16O
- Molecular weight
- 432.1
Names & synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononan-1-olHexadecafluoro-1-nonanol1-Nonanol, hexadecafluoro-1H,1H,9H-Hexadecafluoro-1-hydroxynonaneNSC 55971-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-1-Nonanol, 1H,1H,9H-hexadecafluoro-AI3-23782EINECS 206-806-0BRN 1808149omega-H-Hexadekafluornonanol-1omega-H-Hexadekafluornonanol-1 [German]
Show more names
9H 8:1 FTOH1H,1H,9H-PEhexadecafluoro-1-nonano1,1,9H-perfluorononanol1H,1H,9H-PERFLUORONONANOL-11H,1H,9H-PERFLUORO-1-NONANOL
NONANOL, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-HEXADECAFLUORO-alpha,alpha,omega-Trihydro-perfluorononyl alcoholRefChem:435086206-806-0376-18-11H,1H,9H-Hexadecafluoro-1-nonanol1H,1H,9H-Hexadecafluorononanol1h,1h,9h-perfluorononan-1-ol
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Fluorotelomer based substances
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> F-telomer alcohols (FTOH)
PFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 53 · 53-59 °C(lit.)
- Boiling point
- 155 · 155-156 °C200 mm Hg(lit.)
- Density
- 1.6319 · 1.6319 (estimate)
- Flash point
- 157 · 157-158°C/200mm
- storage temp.
- Store at room temperature
- pka
- 12.89 · 12.89±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1808149 · 1808149
- InChI
- InChI=1S/C9H4F16O/c10-2(11)4(14,15)6(18,19)8(22,23)9(24,25)7(20,21)5(16,17)3(12,13)1-26/h2,26H,1H2
- InChIKey
- MSXVQELLSMPBFD-UHFFFAOYSA-N
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 (50%): 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, 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 2 reports by companies from 2 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 (50%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RA7905000
- hs_code
- 29055900
- Toxicity
- mouse,LD50,intraperitoneal,251mg/kg (251mg/kg),Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 26, Pg. 9, 1980.
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-44
- hazard_class
- IRRITANT
- Hazard statements
Chemistry & industry
Uses & manufacturing
Uses
• Anionic surface active compounds and photographic elements containing them [Ref: CAS2019 (WO8300162)]
non-polymer PFAS -> Photographic Industry -> Photographic material
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> F-telomer alcohols (FTOH)
General Manufacturing Information1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-: INACTIVE
Applications
Uses1H,1H,9H-Hexadecafluoro-1-nonanol can be used in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers62 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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