Basic information
- CAS
1765-48-6- Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F- InChIKey
MMYNPHSPRPZSSN-UHFFFAOYSA-N- Molecular formula
- CF2HC9F18COOH
- Average molar mass
- 546.1 g/mol
- Monoisotopic mass
- 545.9735437
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosafluoroundecanoic acid
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoic acid
- English name
- 11H-PERFLUOROUNDECANOIC ACID
- Molecular formula
- C11H2F20O2
- Molecular weight
- 546.1
Names & synonyms
1765-48-62,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Icosafluoroundecanoic acid11-Eicosafluoroundecanoic acidEicosafluoroundecanoic acid11-H-Perfluoroundecanoic acidUndecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-DTXSID5061954RefChem:437238omega-Hydroperfluoroundecanoic acid217-184-511H-Perfluoroundecanoic acid11H-Eicosafluoroundecanoic acid
Show more names
11H PFUNDAeicosafluoroundecanoicacid11eicosafluoroundecanoicacid11H-Perfluoroundecanoicacid98.omega-h-eicosafluorundekansaeure11H-Perfluoroundecanoic acid,95%11H-Perfluoroundecanoic acid 98.5%
11-H-Eicosafluoroundecanoic acid2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Eicosafluoroundecanoic acidMFCD00042431EINECS 217-184-511-H-Eicosafluorundekansaeure [German]BRN 1811014omega-H-Eicosafluorundekansaeure [German]11-H-Eicosafluorundekansaeure
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 751
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
PFAS
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> Other/unspecified
PFAS -> H-PFcarboxylic acids (PFCA)
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physical DescriptionWhite solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 102 · 102-104°C
- Density
- 1.7297 · 1.7297 (estimate)
- Flash point
- 100 °C · >100°C
- form
- Solid
- CAS DataBase Reference
- 1765 · 1765-48-6(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Undecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro- (1765-48-6)
- Symbol(GHS)
- 5 · GHS05,GHS07
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 1 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.
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS] See Perfluoro compounds, C5-18. See Perfluorooctane sulfonic acid.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- tsca
- TSCA listed
- rtecs
- YQ2400000
- ridadr
- 3261
- hs_code
- 2915907098
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 36/37/39
- hazard_class
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Photographic Industry -> Photographic material
• Antistatic protective photographic layers [Ref: CAS2019 (DE1961638)]
Use Classification
PFAS -> H-PFcarboxylic acids (PFCA)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationUndecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers29 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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13275212658 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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