3,3,3-Trifluoropropanal

HCID 68028CAS 460-40-2

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=CCC(F)(F)F
InChIKey: UTMIEQASUFFADK-UHFFFAOYSA-N
Summenformel: C3H3F3O
Durchschnittliche Molmasse: 112,05 g/mol
Monoisotopische Masse: 112,01359938

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 3,3,3-Trifluoropropanal
IUPAC: 3,3,3-trifluoropropanal
Englischer Name: 3,3,3-Trifluoropropanal
Summenformel: C3H3F3O
Molmasse: 112.05

Namen und Synonyme

3,3,3-Trifluoropropanal460-40-2Propanal, 3,3,3-trifluoro-DTXSID3073189RefChem:90733DTXCID5040465671-022-13,3,3-TrifluoropropionaldehydeTrifluoropropionaldehydeMFCD00156074BRN 17435083,3,3-Trifluoropropanal, AldrichCPR

Weitere Namen anzeigen

3,3,3-Trifluoropropanal hydrateAKOS B014012ART-CHEM-BB B0140123,3,3-Trifluoropropal3,3,3-trifluoro-propana3,3,3-trifluoropylaldehyde3,3,3-trifluoro-propionaldehyd

3,3,3-Trifluoropropanal, tech gradeAB04146BS-42447EN300-49256F88240Propanal,3,3,3-trifluoro-Propionaldehyde, 3,3,3-trifluoro-trifluoromethylacetaldehyde

Datenbank-Bezeichner

CAS: 460-40-2
PubChem CID: 68028
DTXSID: DTXSID3073189
EC Number: 671-022-1
Nikkaji: J1.460.047G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 65,1

Physikochemische Eigenschaften

Siedepunkt: 56 °C · 56°C
Dichte: 1.301 · 1.301
Brechungsindex: 1.309 · 1.309
storage temp.: -20 °C, · -20°C, stored under nitrogen
InChI: InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2
InChIKey: UTMIEQASUFFADK-UHFFFAOYSA-N
SMILES: C(=O)CC(F)(F)F
CAS Datenbank: 460 · 460-40-2(CAS DataBase Reference)
EPA chemische Informationen: 3 · Propanal, 3,3,3-trifluoro- (460-40-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]

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, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.