5-Fluoro-2-(trifluoromethyl)benzaldehyde

HCID 2737538CAS 90381-08-1

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Grundinformationen

Standard-SMILES: O=Cc1cc(F)ccc1C(F)(F)F
InChIKey: MITVIZWTPVYRDO-UHFFFAOYSA-N
Summenformel: C8H4F4O
Durchschnittliche Molmasse: 192,11 g/mol
Monoisotopische Masse: 192,0198274

Namen und Bezeichner

Bevorzugter Name: 5-Fluoro-2-(trifluoromethyl)benzaldehyde
IUPAC: 5-fluoro-2-(trifluoromethyl)benzaldehyde
Englischer Name: 5-FLUORO-2-(TRIFLUOROMETHYL)BENZALDEHYDE
Summenformel: C8H4F4O
Molmasse: 192.11

Namen und Synonyme

5-fluoro-2-(trifluoromethyl)benzaldehyde90381-08-1DTXSID50372123RefChem:102618DTXCID10323156642-472-65-fluoro-2-trifluoromethylbenzaldehyde2-Trifluoromethyl-5-fluorobenzaldehydeMFCD002362765-fluoro-2-trifluoromethyl-benzaldehyde5-Fluoro-2-trifluoromethylbenzaldehyde;2-Trifluoromethyl-5-fluorobenzaldehydeBenzaldehyde, 5-fluoro-2-(trifluoromethyl)-

Weitere Namen anzeigen

OTF-BAD-5Fà,à,à,5-tetrafluoro-o-tolualdehyde5-Fluoro-2-(trifluoromethyl)benzaldehyde97%5-Fluoro-2-(trifluoromethyl)benzaldehyde 97%alpha,alpha,alpha,5-Tetrafluoro-o-tolualdehyde5-Fluoro-2-(trifluoroMethyl)benzaldehyde, 98%+5-fluoro-2-(trifluoromethyl)benzaldehyde - [F87834]

SCHEMBL1073123CHEMBL4464903SCHEMBL16401745SCHEMBL30266598CL8375SBB091372AKOS0052583195-fluoro-2-(trifluoromethy)-benzaldehyde

Datenbank-Bezeichner

CAS: 90381-08-1
PubChem CID: 2737538
DTXSID: DTXSID50372123
ChEMBL: CHEMBL4464903
EC Number: 642-472-6

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: 189 ℃ · 189℃
Dichte: 1.383 · 1.383
Brechungsindex: 1.4495 · 1.4495
Flammpunkt: 70 ℃ · 70℃
storage temp.: Inert atmosphere,Room Temperature
CAS Datenbank: 90381 · 90381-08-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (11.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.