2-Fluoro-4-(trifluoromethyl)benzaldehyde

HCID 522929CAS 89763-93-9

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Grundinformationen

Standard-SMILES: O=Cc1ccc(C(F)(F)F)cc1F
InChIKey: KFEHNXLFIGPWNB-UHFFFAOYSA-N
Summenformel: C8H4F4O
Durchschnittliche Molmasse: 192,11 g/mol
Monoisotopische Masse: 192,01982763

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-(trifluoromethyl)benzaldehyde
IUPAC: 2-fluoro-4-(trifluoromethyl)benzaldehyde
Englischer Name: 2-Fluoro-4-(trifluoromethyl)benzaldehyde
Summenformel: C8H4F4O
Molmasse: 192.11

Namen und Synonyme

2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9Benzaldehyde, 2-fluoro-4-(trifluoromethyl)-DTXSID10335113RefChem:87066DTXCID60286202618-296-0KFEHNXLFIGPWNB-UHFFFAOYSA-NC8H4F4OMFCD000613102-fluoro-4-trifluoromethylbenzaldehydeSCHEMBL153434

Weitere Namen anzeigen

à,à,à,2-tetrafluoro-p-tolualdehyde2-Fluoro-4-(trifluoromethyl)benzaldehy2-Fluoro-4-(trifluoromethyl)benzaldehyde97%2-Fluoro-4-(trifluoromethyl)benzaldehyde 97%ALPHA,ALPHA,ALPHA,2-TETRAFLUORO-P-TOLUALDEHYDE3-Fluoro-4-formylbenzotrifluoride, alpha,alpha,alpha,2-Tetrafluoro-p-tolualdehyde

AKOS005256321CS-W007958PS-8341H-P-FLUORO-DL-PHE-OMEHCLAM62135FT-0612322SCHEMBL2140819SBB064507

Datenbank-Bezeichner

CAS: 89763-93-9
PubChem CID: 522929
DTXSID: DTXSID10335113
EC Number: 618-296-0
Nikkaji: J829.242F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Siedepunkt: 118 · 118-119 °C (lit.)
Dichte: 1.41 g/mL · 1.41 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.45(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless
Wichte: 1.41 · 1.41
BRN: 7703632 · 7703632
InChI: InChI=1S/C8H4F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChIKey: KFEHNXLFIGPWNB-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(C(F)(F)F)C=C1F
CAS Datenbank: 89763 · 89763-93-9(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 47 reports by companies from 6 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
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Fluoro-4-(trifluoromethyl)benzaldehyde may be used in the synthesis of methyl 3-amino-6-(trifluoromethyl)benzo[b]thiophene-2-carboxylate.