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Grundinformationen
- CAS
421-53-4- Standard-SMILES
OC(O)C(F)(F)F- InChIKey
VGJWVEYTYIBXIA-UHFFFAOYSA-N- Summenformel
- C2H3F3O2
- Durchschnittliche Molmasse
- 116,04 g/mol
- Monoisotopische Masse
- 116,00851382
Namen und Bezeichner
- Bevorzugter Name
- 2,2,2-Trifluoro-1,1-ethanediol
- IUPAC
- 2,2,2-trifluoroethane-1,1-diol
- Lokaler Name
- 2,2,2-Trifluorethandiol
- Englischer Name
- TRIFLUOROACETALDEHYDE HYDRATE
- Summenformel
- C2H3F3O2
- Molmasse
- 116.04
Namen und Synonyme
Trifluoroacetaldehyde hydrate421-53-4Fluoral hydrate1,1-Ethanediol, 2,2,2-trifluoro-2,2,2-Trifluoro-1,1-ethanediolAcetaldehyde, trifluoro-, hydrateNSC-146025DWG4394PJHDTXSID4059964RefChem:191573DTXCID1040033207-006-4
Weitere Namen anzeigen
uoroacetaLdehyde hydrateUpatinib impurity 107.trifluoroethylaldehydeTrifluoroethanal hydrate
2,2,2-trifluoroethane-1,1-diolTfaihTrifluoroacetaldehyde hydrate (tech.)Fluoral, hydrate2,2,2-Trifluoroethanediol2,2,2-Trifluoro-1,1-ethanediol (contains Total ca. 35% Water)EINECS 207-006-4NSC 146025
Datenbank-Bezeichner
- CAS
421-53-4- PubChem CID
- 67901
- DTXSID
DTXSID4059964- UNII
- DWG4394PJH
- EC Number
- 207-006-4
- Nikkaji
- J1.531H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 56
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-70℃
- Siedepunkt
- 104 · 104-106°C
- Dichte
- 1 · 1,4 g/cm3
- Brechungsindex
- 1.33 · 1.33
- Flammpunkt
- 104 · 104-106°C
- storage temp.
- 2 · Storage temp. 2-8°C
- Aggregatzustand
- clear liquid
- pka
- 10.22 · 10.22±0.41(Predicted)
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- Soluble in water.
- InChI
- InChI=1S/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H
- InChIKey
- VGJWVEYTYIBXIA-UHFFFAOYSA-N
- SMILES
- C(O)(O)C(F)(F)F
- CAS Datenbank
- 421 · 421-53-4(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,1-Ethanediol, 2,2,2-trifluoro- (421-53-4)
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
This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.
Danger
H225 (86.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 45 reports by companies.；There are 4 notifications provided by 44 of 45 reports by companies with hazard statement code(s).；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 CategoriesFlam. Liq. 2 (86.7%)；Acute Tox. 4 (95.6%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (88.9%)；STOT SE 3 (97.8%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,1-Ethanediol, 2,2,2-trifluoro-: INACTIVE
Anwendungen
VerwendenTrifluoroacetaldehyde monohydrate is used as an agricultural chemical, a drug and therapeutic agent, a fungicide, bactericide, and wood preservative.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
18
Notizen zur Verbindung
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