2,2,2-Trifluor-1-methoxyethanol

2,2,2-Trifluoro-1-methoxyethanol

HCID 9892CAS 431-46-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(O)C(F)(F)F
InChIKey: GWTBCUWZAVMAQV-UHFFFAOYSA-N
Summenformel: C3H5F3O2
Durchschnittliche Molmasse: 130,07 g/mol
Monoisotopische Masse: 130,02416388

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoro-1-methoxyethanol
IUPAC: 2,2,2-trifluoro-1-methoxyethanol
Lokaler Name: 2,2,2-Trifluor-1-methoxyethanol
Englischer Name: Trifluoroacetaldehyde methyl hemiacetal
Summenformel: C3H5F3O2
Molmasse: 130.07

Namen und Synonyme

2,2,2-Trifluoro-1-methoxyethanolRefChem:592096207-072-4Trifluoroacetaldehyde methyl hemiacetal431-46-9MFCD000135722,2,2-trifluoro-1-methoxyethan-1-olEthanol, 2,2,2-trifluoro-1-methoxy-TRIFLUOROACETALDEHYDEMETHYLHEMIACETALTrifluoroacetaldehyde methyl hemiacetal (tech.)Trifluoroacetaldehyde methyl hemiacetal, tech.SCHEMBL501205

Weitere Namen anzeigen

fluoralmethylhemiacetalFLUORAL HEMIMETHYLACETALTRIFLUOROACETALDEHYDE METHYL2,2,2-trifluoro-1-methoxy-ethano1-methoxy-2,2,2-trifluoro-ethanoTRIFUOROACETALDEHYDE HEMIMETHYLACETALTRIFLUOROACETALDEHYDE METHYL HEMIACETA

ETHANOL, 1-METHOXY-2,2,2-TRIFLUORO-DTXSID30883383EN300-179568Fluoral methyl hemiacetalTrifluoroacetaldehyde methyl hemiacetal, AldrichCPRTrifluoroacetaldehyde methyl hemiacetal, tech grade1-Methoxy-2,2,2-trifluoroethanolTrifluoroacetaldehyde Methyl Hemiacetal (contains ca. 10% Methanol)

Datenbank-Bezeichner

CAS: 431-46-9
PubChem CID: 9892
DTXSID: DTXSID30883383
EC Number: 207-072-4
Nikkaji: J49.839D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 69

Physikochemische Eigenschaften

Siedepunkt: 104 · 104-106°C
Dichte: 1 · 1,36 g/cm3
Brechungsindex: 1.33 · 1.33
Flammpunkt: 42 °C · 42°C
pka: 10.43 · 10.43±0.20(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
BRN: 1737758 · 1737758
InChI: InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKey: GWTBCUWZAVMAQV-UHFFFAOYSA-N
SMILES: C(O)(OC)C(F)(F)F
CAS Datenbank: 431 · 431-46-9(CAS DataBase Reference)
EPA chemische Informationen: 2 · Ethanol, 2,2,2-trifluoro-1-methoxy- (431-46-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H370 (10%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P317, 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 10 reports by companies from 6 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 CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (90%)；Acute Tox. 4 (40%)；Skin Irrit. 2 (20%)；Eye Irrit. 2 (30%)；Acute Tox. 4 (40%)；STOT SE 3 (30%)；STOT SE 1 (10%)