Pentafluorbenzaldehyd

Pentafluorobenzaldehyde

HCID 69558CAS 653-37-2

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Grundinformationen

Standard-SMILES: O=Cc1c(F)c(F)c(F)c(F)c1F
InChIKey: QJXCFMJTJYCLFG-UHFFFAOYSA-N
Summenformel: C7HF5O
Durchschnittliche Molmasse: 196,07 g/mol
Monoisotopische Masse: 195,99475575

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Pentafluorobenzaldehyde
IUPAC: 2,3,4,5,6-pentafluorobenzaldehyde
Lokaler Name: Pentafluorbenzaldehyd
Englischer Name: Pentafluorobenzaldehyde
Summenformel: C7HF5O
Molmasse: 196.07

Namen und Synonyme

Pentafluorobenzaldehyde2,3,4,5,6-Pentafluorobenzaldehyde653-37-2PerfluorobenzaldehydeBenzaldehyde, 2,3,4,5,6-pentafluoro-S9YIE3JZ4KNSC-96967DTXSID4022101RefChem:859800DTXCID802101211-502-6Benzaldehyde, pentafluoro-

Weitere Namen anzeigen

PENTAFLUORBENZALDEHYDEPentafluorobenzaldehyde>Pentafluorobenzaldehyde 98%Pentafluorobenzaldehyde ,97%Pentafluorobenzaldehyde, 98+%Pentafluorobenzaldehyde,Min.97%

C7HF5OMFCD00003303EINECS 211-502-6QJXCFMJTJYCLFG-UHFFFAOYSA-2,4,5,6-PentafluorobenzaldehydeNSC96967STK400424EN300-20105

Datenbank-Bezeichner

CAS: 653-37-2
PubChem CID: 69558
DTXSID: DTXSID4022101
UNII: S9YIE3JZ4K
EC Number: 211-502-6
Nikkaji: J205.942H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 183

Physikochemische Eigenschaften

Schmelzpunkt: 24 · 24-28 °C(lit.)
Siedepunkt: 164 · 164-166 °C(lit.)
Dichte: 1.588 g/mL · 1.588 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.45(lit.)
Flammpunkt: 172 °F · 172 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: Liquid After Melting
Wichte: 1.588 · 1.588
Farbe: Clear yellow
Wasserlöslichkeit: Sparingly Soluble in water (0.027 g/L at 25°C).
BRN: 1876550 · 1876550
InChI: InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
InChIKey: QJXCFMJTJYCLFG-UHFFFAOYSA-N
SMILES: C(=O)C1=C(F)C(F)=C(F)C(F)=C1F
CAS Datenbank: 653 · 653-37-2(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, P317, 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 50 reports by companies from 10 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
ridadr: UN 2810 6.1/PG 3
hs_code: 29130000
RTECS-Nr.: CU7542000
risk_code: 20/22-36/37/38-20
hazard_code: Xn,F,Xi
hazard_note: Irritant
safety_code: 26-37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPentafluorobenzaldehyde was used as derivatization reagent in a study to develop a sensitive method for the determination of primary amines in sewage sludge by headspace solid-phase micro extraction and gas chromatography-tandem mass spectrometry. It was used in the synthesis of novel, high molecular weight fluorinated aromatic polymers.