4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluorundecansure
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
34598-33-9- Standard-SMILES
O=C(O)CCC(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
JZRCRCFPVAXHHQ-UHFFFAOYSA-N- Summenformel
- C11H5F17O2
- Durchschnittliche Molmasse
- 492,13 g/mol
- Monoisotopische Masse
- 492,0018082
Namen und Bezeichner
- Bevorzugter Name
- 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid
- IUPAC
- 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid
- Lokaler Name
- 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluorundecansure
- Englischer Name
- 2-AMINOTOLUENE-5-SULFONIC ACID
- Summenformel
- C11H5F17O2
- Molmasse
- 492.13
Namen und Synonyme
34598-33-94,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acidEINECS 252-108-4RefChem:507004252-108-42H,2H,3H,3H-Perfluoroundecanoic acid2H,2H,3H,3H-Heptadecafluoroundecanoic Acid8:3 Fluorotelomer carboxylic acidMFCD04038353Heptadecafluoroundecanoic acid3-Perfluorooctylpropionic acidDTXSID50188165
Weitere Namen anzeigen
OTS2-TOLUIDINE-5-SULFONIC ACID4-AMINO-M-TOLUENESULFONIC ACID4-AMINO-3-METHYLBENZENESULFONIC ACID3-(Heptadecafluorooctyl)propionic acid2H,2H,3H,3H-Heptadecafluoroundecanoicacid97%2H,2H,3H,3H-HeptadecafluoroundecanoicAcid>2H,2H,3H,3H-PERFLUOROUNDECANOIC ACID, 97% MIN.
CS-0204598H4PFUnA; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid; 2H,2H,3H,3H-Perfluoroundecanoic acid; 3-Perfluorooctylpropionic acid; Heptadecafluoroundecanoic acid; PFCSCHEMBL934065F247H99R8QMSK158542AKOS015893219AS-72521SY050450
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,9
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 19
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 647
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index1003
Physikochemische Eigenschaften
- Schmelzpunkt
- 93 · 93-97 °C
- Siedepunkt
- 244.9 · 244.9±35.0 °C(Predicted)
- Dichte
- 1.652 · 1.652±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly, Heated), Methanol (Slightly)
- pka
- 4.22 · 4.22±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-Whiite
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)
- InChIKey
- JZRCRCFPVAXHHQ-UHFFFAOYSA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationSubstance: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid；EC: 252-108-4；Date of inclusion in the POPs Regulation: 15-Jun-2020；POPs Regulation Annex: Annex I, part A; Annex IV
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (95.2%)
Regulatorische Informationen
Regulatory InformationSubstance: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid；EC: 252-108-4；Date of inclusion in the POPs Regulation: 15-Jun-2020；POPs Regulation Annex: Annex I, part A; Annex IV
Chemie und Industrie
Verwendung und Herstellung
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> F-telomer X:3 carboxylic acid (FTCA)
Anwendungen
Verwenden4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic Acid is a derivative of Undecanoic Acid (U788850) which is a saturated fatty acid. It may be used to activate orphan G protein-coupled receptor GPR40.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Zugehörige Reaktionen
3
Notizen zur Verbindung
Wird geladen…