Potassium perfluorooctanesulfonate

HCID 23669238

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Grundinformationen

CAS: 2795-39-3
Standard-SMILES: O=S(=O)([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)F.[K+]
InChIKey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M
Summenformel: C8F17KO3S
Durchschnittliche Molmasse: 538,22 g/mol
Monoisotopische Masse: 537,89337628

Namen und Bezeichner

Bevorzugter Name: Potassium perfluorooctanesulfonate
IUPAC: potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate

Namen und Synonyme

2795-39-3Potassium perfluorooctanesulfonateFluorad FC 95Potassium heptadecafluorooctane-1-sulfonateDTXSID80377061-Octanesulfonic acid, heptadecafluoro-, potassium salt1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium saltE617073PI9DTXCID6017706NSC-184051-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt (1:1)RefChem:175572

Weitere Namen anzeigen

potassium perfluorooctane sulfonate220-527-1Potassium heptadecafluoro-1-octanesulfonatePerfluorooctanesulfonic acid potassium saltPotassium heptadecafluorooctane-1-sulphonateFloral FC 95MFCD00066407Heptadecafluorooctanesulfonic acid potassium salt

Datenbank-Bezeichner

CAS: 2795-39-3
PubChem CID: 23669238
DTXSID: DTXSID8037706
ChEMBL: CHEMBL1902978
UNII: E617073PI9
EC Number: 220-527-1
Nikkaji: J256.567F

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA): 65,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 20
Frei drehbare Bindungen: 7
Schwere Atome: 30
Formalladung: 0
Komplexität: 733

Experimentelle und physikochemische Eigenschaften

PFAS · 4 Einträge

PFAS -> Other/unspecified

PFAS -> non-polymer

PFAS -> OECD Category

PFAS -> Perfluoroalkyl acids (PFAAs)

Endocrine DisruptorsPotential endocrine disrupting compound

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)

Danger

H301 (48.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt

Hazard Traits - Bioaccumulation; Environmental Persistence; Reproductive Toxicity

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Potassium heptadecafluorooctane-1-sulphonate

Other Safety InformationIMAP assessments - Perfluorooctane sulfonate (PFOS) and its Direct Precursors: Human health tier II assessment

Hazard Classes and Categories · 6 Einträge

Acute Tox. 3 (48.4%)

Carcinogenicity - category 2

Acute toxicity (Oral) - Category 3

Reproductive toxicity - Category 1B

Carcinogenicity - Category 2

Carc. 2

Toxikologische Informationen

RAIS Toxicity Values · 6 Einträge

1e-07

DWSHA

1e-07

DWSHA

2e-06

ATSDR Final

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 Einträge

6.30e-03

5.80e-02

2.00e-03

4.00e-03

1.5e-05

3.95e+01

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 Einträge

1.90e-02

2.50e-01

6.00e-03

4.00e-03

3.95e+01

1e-07

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

non-polymer PFAS -> Semiconductor Industry -> Etching the SiO2 coating of the semiconductor device

• Additive in aviation hydraulic fluid [Ref: POPRC. 2019. Report on the Assessment of Alternatives to Perfluorooctane Sulfonic Acid, Its Salts and Perfluorooctane Sulfonyl Fluoride (UNEP/POPS/POPRC.14/INF/13).]

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

General Manufacturing Information1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt (1:1): ACTIVE