Natriumheptafluorbutyrat

Sodium perfluorobutanoate

HCID 23678859

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 2218-54-4
Standard-SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIKey: YSHHTXWLHYSYJP-UHFFFAOYSA-M
Summenformel: C4F7NaO2
Durchschnittliche Molmasse: 236,02 g/mol
Monoisotopische Masse: 235,96842106

Namen und Bezeichner

Bevorzugter Name: Sodium perfluorobutanoate
IUPAC: sodium 2,2,3,3,4,4,4-heptafluorobutanoate
Lokaler Name: Natriumheptafluorbutyrat
Englischer Name: Sodium heptafluorobutyrate
Summenformel: C4H2F7NaO2
Molmasse: 238.04

Namen und Synonyme

Sodium perfluorobutanoateDTXSID70880179RefChem:571328DTXCID701021765Sodium heptafluorobutyrate2218-54-4Sodium perfluorobutyrateSodium 2,2,3,3,4,4,4-heptafluorobutanoateSodium heptafluorobutanoatesodium;2,2,3,3,4,4,4-heptafluorobutanoateMFCD00066168Heptafluorobutanoic acid, sodium salt

Weitere Namen anzeigen

SODIUM NONAFLUOROPENTANOATESodiumheptafluorobutyrate,98%Sodium heptafluorobutyrate 98%Sodium n-heptafluorobutyrate, 98%heptafluoro-butanoicacisodiumsaltPerfluorobutyric acid, sodium saltHeptafluorobutyric acid sodium salt

Perfluorobutanoic acid sodiumEINECS 218-721-6NSC 52381Butyric acid, heptafluoro-, sodium saltButanoic acid, heptafluoro-, sodium saltC4F7NaO2Sodium n-heptafluorobutyrateSCHEMBL789396

Datenbank-Bezeichner

CAS: 2218-54-4
PubChem CID: 23678859
DTXSID: DTXSID70880179
EC Number: 218-721-6
Nikkaji: J144.586C

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 222

Experimentelle und physikochemische Eigenschaften

PFAS · 4 Einträge

PFAS -> Perfluoroalkyl acids (PFAAs)

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS

Physikochemische Eigenschaften

Schmelzpunkt: 248 · 248-250°C
CAS Datenbank: 2218 · 2218-54-4(CAS DataBase Reference)
EPA chemische Informationen: Sodium heptafluorobutyrate (2218-54-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Toxikologische Informationen

RAIS Toxicity Values · 4 Einträge

0.001

IRIS Current

0.007

IRIS Current

USGS Health-Based Screening Levels for Evaluating Water-Quality · 5 Einträge

Perfluorobutanoate, sodium (PFBA salt)

PFAS

Sodium salt of Perfluorobutanoic acid (PFBA). The HBSL is derived from the RfD for PFBA, after adjusting for their relative molecular weights.

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

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

7.80e+01

1.20e+03

1.80e+01

4.00e-03

6.40e-03

1.00e-03

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

2.30e+02

3.50e+03

5.40e+01

4.00e-03

1.00e-03

Volatile

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2915907098
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)