Ammoniumtrifluoracetat
Ammonium trifluoroacetate
Grundinformationen
- CAS
3336-58-1- Standard-SMILES
O=C([O-])C(F)(F)F.[NH4+]- InChIKey
YCNIBOIOWCTRCL-UHFFFAOYSA-N- Summenformel
- C2H4F3NO2
- Durchschnittliche Molmasse
- 131,05 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Ammonium trifluoroacetate
- IUPAC
- azanium 2,2,2-trifluoroacetate
- Lokaler Name
- Ammoniumtrifluoracetat
- Englischer Name
- Ammonium trifluoroacetate
- Summenformel
- C2H4F3NO2
- Molmasse
- 131.05
Namen und Synonyme
Ammonium trifluoroacetate3336-58-1EINECS 222-072-4NSC 148335RefChem:112216Acetic acid, trifluoro, ammonium salt (8CI)Acetic acid, trifluoro-, ammonium salt (8CI)Acetic acid, trifluoro, ammonium salt (8CI)(9CI)Acetic acid, trifluoro-, ammonium salt (8CI)(9CI)222-072-4ammoniumtrifluoroacetateMFCD00012615
Weitere Namen anzeigen
AMMONIUM TRIFLUORACETATEAmmoniumtrifluoroacetate98%Ammonium trifluoroacetate 98%azanium,2,2,2-trifluoroacetateTRIFLUOROACETIC ACID AMMONIUM SALTTrifluoroacetic acid, ammonium salt,98%AMMONIUM TRIFLUOROACETATE ISO 9001：2015 REACH
Ammonium 2,2,2-Trifluoroacetateamine-trifluoroacetic acidtrifluoroacetic acid amineSCHEMBL1951454Ammonium trifluoroacetate, 98%Trifluoroacetic acid, ammonium saltNSC148335Acetic acid, trifluoro-, ammonium salt
Datenbank-Bezeichner
- CAS
3336-58-1- PubChem CID
- 2724268
- DTXSID
DTXSID10954989- EC Number
- 222-072-4
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 41,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 77,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Ammonium Compounds
Physical DescriptionWhite crystals, soluble in water; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-125 °C (lit.)
- Dichte
- 1.3887 · 1.3887 (estimate)
- Löslichkeit
- 2 O: · H2O: 0.1 g/mL at 25 °C, clear, colorless
- Aggregatzustand
- Crystalline Powder or Crystals
- Farbe
- White to off-white
- PH
- 5 · 5-6.5
- Wasserlöslichkeit
- Soluble in Water.
- InChI
- InChI=1S/C2HF3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3
- InChIKey
- YCNIBOIOWCTRCL-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)C(=O)O.N
- CAS Datenbank
- 3336 · 3336-58-1(CAS DataBase Reference)
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
Danger
H300 (74.5%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationAcetic acid, trifluoro-, ammonium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] See Sodium fluoroacetate.
Hazard Classes and CategoriesAcute Tox. 2 (74.5%)
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- hs_code
- 29159000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenUsed in the synthesis of hexafluoro-2-aminopentan-4-one ligand and in tuning and calibrating new liquid chromatography/mass spectrometry systems. Applications of ammonium trifluoroacetate as an additive for elution of chiral acids and bases from derivatized polysaccharide stationary phases
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