2,3,5-Trifluorobenzaldehyde

HCID 2776950CAS 126202-23-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=Cc1cc(F)cc(F)c1F
InChIKey: RQUNVQGCKIBORD-UHFFFAOYSA-N
Summenformel: C7H3F3O
Durchschnittliche Molmasse: 160,09 g/mol
Monoisotopische Masse: 160,01359938

Namen und Bezeichner

Bevorzugter Name: 2,3,5-Trifluorobenzaldehyde
IUPAC: 2,3,5-trifluorobenzaldehyde
Englischer Name: 2,3,5-Ttrifluorobenzaldehyde
Summenformel: C7H3F3O
Molmasse: 160.09

Namen und Synonyme

2,3,5-Trifluorobenzaldehyde126202-23-1DTXSID70380306RefChem:244194DTXCID10331332623-359-02,3,5-TtrifluorobenzaldehydeBenzaldehyde, 2,3,5-trifluoro-MFCD000835382,3,5-triflorobenzaldehydeSCHEMBL585592CS-W010881

Weitere Namen anzeigen

SKL7082,3,5-trifluorobenzadehyde2,3,5-Trilfuorobenzaldehyde2,3,5-Trifluorobenzaldehyde98%2,3,5-Trifluorobenzaldehyde,97%2,3,5-Trifluorobenzaldehyde 98%Benzaldehyde, 2,3,5-trifluoro- (9CI)

DS-18169SY018432Z1203162165AM61752Benzaldehyde, 2,3,5-tA212962,3,5 Trifluorobenzaldehyde2,3,5-Trifluorobenzaldehyde, 97%

Datenbank-Bezeichner

CAS: 126202-23-1
PubChem CID: 2776950
DTXSID: DTXSID70380306
EC Number: 623-359-0
Nikkaji: J1.839.279H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Siedepunkt: 165 °C · 165 °C (lit.)
Dichte: 1.407 g/mL · 1.407 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.478(lit.)
Flammpunkt: 136 °F · 136 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: liquid
Farbe: Clear, faint yellow
Wichte: 1.407 · 1.407
BRN: 9190838 · 9190838
InChI: 1S/C7H3F3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
InChIKey: RQUNVQGCKIBORD-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(F)c(C=O)c1
CAS Datenbank: 126202 · 126202-23-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.