2,3,5,6-Tetrafluorobenzaldehyde

HCID 601331CAS 19842-76-3

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Grundinformationen

Standard-SMILES: O=Cc1c(F)c(F)cc(F)c1F
InChIKey: YIRYOMXPMOLQSO-UHFFFAOYSA-N
Summenformel: C7H2F4O
Durchschnittliche Molmasse: 178,08 g/mol
Monoisotopische Masse: 178,00417756

Namen und Bezeichner

Bevorzugter Name: 2,3,5,6-Tetrafluorobenzaldehyde
IUPAC: 2,3,5,6-tetrafluorobenzaldehyde
Englischer Name: 2,3,5,6-TETRAFLUOROBENZALDEHYDE
Summenformel: C7H2F4O
Molmasse: 178.08

Namen und Synonyme

2,3,5,6-Tetrafluorobenzaldehyde19842-76-3DTXSID50345039RefChem:81369DTXCID50296113626-553-3YIRYOMXPMOLQSO-UHFFFAOYSA-NMFCD00167387Benzaldehyde, 2,3,5,6-tetrafluoro-SCHEMBL4411312,3,5,6-Tetrafluorobenzaldehyde, 97%AS-36734

Weitere Namen anzeigen

2,3,5,6-Tetrafluorobenzaldehyd2,3,5,6-Tetrafluorobenzaldehyde,97%2,3,5,6-Tetrafluorobenzaldehyde, 97% 1GR2,3,5,6-tetrafluorobenzenemethylaldehyde2,3,5,6-TETRAFLUOROBENZALDEHYDE ISO 9001：2015 REACH

SY050417CS-0157871T1898Z1203162139AM20030285FT-0609422A813989SCHEMBL3974422

Datenbank-Bezeichner

CAS: 19842-76-3
PubChem CID: 601331
DTXSID: DTXSID50345039
EC Number: 626-553-3
Nikkaji: J1.118.218F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Siedepunkt: 178 °C · 178 °C (lit.)
Dichte: 1.525 g/mL · 1.525 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.469(lit.)
Flammpunkt: 165 °F · 165 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
Wichte: 1.525 · 1.525
InChI: 1S/C7H2F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H
InChIKey: YIRYOMXPMOLQSO-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(F)c(C=O)c1F
CAS Datenbank: 19842 · 19842-76-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: IRRITANT, AIR SENSITIVE
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,3,5,6-Tetrafluorobenzaldehyde was used in the preparation of 1,3-bis(2,4,6-trimethylphenyl)-2-(2,3,5,6-tetrafluorophenyl)imidazolidine and 1,3-dimethyl-2-(2,3,5,6-tetrafluorophenyl)imidazolidine.