CAS 2926-30-9 Sodium trifluoromethanesulfonate (HCID 23676748)

Namen und Bezeichner

Bevorzugter Name: Sodium trifluoromethanesulfonate
IUPAC: sodium trifluoromethanesulfonate
Englischer Name: NaOTf
Summenformel: CF3NaO3S
Molmasse: 172.06

Namen und Synonyme

Sodium trifluoromethanesulfonate2926-30-9DTXSID20635510RefChem:380779DTXCID30586261629-418-7Sodium triflatesodium;trifluoromethanesulfonateMFCD00061607trifluoromethanesulfonic acid sodiumMethanesulfonic acid, 1,1,1-trifluoro-, sodium salt (1:1)Methanesulfonic acid, trifluoro-, sodium salt

Weitere Namen anzeigen

NaOTfSodium trifluomethanesulfonateSodium trifluorideSodium trifluoromethaSodium TrifluoromethanesulfoteSODIUM TRIFLUOROMETHANESULPHONATESodiumtrifluoromethanesulphonate98%Sodium trifluoromethanesulfonate,98%

Trifluoromethanesulfonic acid sodium saltTrifluoromethanesulfonic acid (sodium)AKOS005063791CS-W017632CF3NaO3SSodiumtrifluoromethanesulfonateSodium trifluoromethanesulfonate, 98%CF3SO3Na

Datenbank-Bezeichner

CAS: 2926-30-9
PubChem CID: 23676748
DTXSID: DTXSID20635510
ChEMBL: CHEMBL3326865
EC Number: 629-418-7
Nikkaji: J661.259H

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 65,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 253 · 253-255 °C (lit.)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Powder
Farbe: White to off-white
Wasserlöslichkeit: soluble
BRN: 3728797 · 3728797
InChI: InChI=1S/CHF3O3S.Na/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1
InChIKey: KKVTYAVXTDIPAP-UHFFFAOYSA-M
SMILES: C(F)(F)(F)S([O-])(=O)=O.[Na+]
CAS Datenbank: 2926 · 2926-30-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): 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 53 reports by companies from 11 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

Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)；Eye Irrit. 2 (98.1%)；STOT SE 3 (96.2%)

Sicherheitsdaten

F: 3-10
wgk: 3
tsca: No
hs_code: 29049090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,C,Xn
hazard_note: Corrosive
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungSodium trifluoromethanesulfonate (NaOTf) is commonly known as trifluoromethanesulfonic acid or TFMS. Possessing unique properties, TFMS is water-soluble, anionic, and boasts a range of valuable attributes. As a colorless, odorless, and non-toxic substance, TFMS finds widespread use as a reagent in organic synthesis, a catalyst in industrial applications, and a buffer in various biochemical experiments. In scientific research, TFMS stands out due to its robust acidity, enabling it to act as a potent catalyst in organic synthesis. Additionally, it effectively serves as a reliable buffer at pH levels, ensuring precise pH maintenance in biochemical experiments. As an anionic compound, TFMS functions as a strong acid in solution, facilitating the donation of protons to other molecules, thus reducing the pH.

VerwendenNaOTf is used in the preparation of N-fluoro-2-methylpyridinium triflate by reaction with dinitrogen difluoride as a reagent. It is also used as a chaotropic mobile phase additive in reversed-phase liquid chromatography (RP-LC).