Pentadecafluoroctylchlorid

Perfluorooctanoyl chloride

HCID 78978CAS 335-64-8

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Grundinformationen

Standard-SMILES: O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: AQQBRCXWZZAFOK-UHFFFAOYSA-N
Summenformel: C8ClF15O
Durchschnittliche Molmasse: 432,51 g/mol
Monoisotopische Masse: 431,9398156

Namen und Bezeichner

Bevorzugter Name: Perfluorooctanoyl chloride
IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl chloride
Lokaler Name: Pentadecafluoroctylchlorid
Englischer Name: Pentadecafluorooctanoyl chloride
Summenformel: C8ClF15O
Molmasse: 432.51

Namen und Synonyme

Perfluorooctanoyl chloride335-64-8Pentadecafluorooctyl chloride9BR9NAK9W6RefChem:859712206-394-2Pentadecafluorooctanoyl chloride2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoyl chloridePerfluorooctanoylchlorideC8ClF15OMFCD00013654DTXSID40187142

Weitere Namen anzeigen

PERFLUOROOCTANYL CHLORIDEXin chloride perfluorinatedPerfluorooctanoylchloride97%Perfluorooctanoyl chloride 97%

Octanoyl chloride, pentadecafluoro-EINECS 206-394-2perflurooctanoyl chloridePerfluorocaprylic chlorideUNII-9BR9NAK9W6n-Perfluorooctanoyl chlorideSCHEMBL159453Perfluorooctanoic acid chloride

Datenbank-Bezeichner

CAS: 335-64-8
PubChem CID: 78978
DTXSID: DTXSID40187142
UNII: 9BR9NAK9W6
EC Number: 206-394-2
Nikkaji: J193.772C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 16
Frei drehbare Bindungen: 6
Schwere Atome: 25
Formalladung: 0
Komplexität: 532

Experimentelle und physikochemische Eigenschaften

PFAS · 3 Einträge

PFAS -> Other/unspecified

PFAS -> OECD Category

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-75 °C(Solv: benzene (71-43-2))
Siedepunkt: 129 · 129-130 °C/744 mmHg (lit.)
Dichte: 1.744 g/mL · 1.744 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.3045(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Wasserlöslichkeit: Reacts with water.
BRN: 1809677 · 1809677
InChI: 1S/C8ClF15O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
InChIKey: AQQBRCXWZZAFOK-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O
CAS Datenbank: 335 · 335-64-8(CAS DataBase Reference)
NIST chemische Informationen: Perfluorooctanoyl chloride(335-64-8)
EPA chemische Informationen: Pentadecafluorooctyl chloride (335-64-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29159080
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

Anwendungen · 1 Eintrag

VerwendenPentadecafluorooctanoyl chloride can be used:In the derivatization of poly(2-hydroxyethyl methacrylate) (PHEMA) via esterification for use as composite membranes.In the fabrication of superhydrophobic cellulose surfaces.As a reagent for the esterification of hydroxyl-functionalized gold nanocrystals.As a reagent in the synthesis of fluorous derivatives of diaminocyclohexane which are used as ligands.