3-Fluoro-5-(trifluoromethyl)benzaldehyde
Grundinformationen
- CAS
188815-30-7- Standard-SMILES
O=Cc1cc(F)cc(C(F)(F)F)c1- InChIKey
UZZYXZWSOWQPIS-UHFFFAOYSA-N- Summenformel
- C8H4F4O
- Durchschnittliche Molmasse
- 192,11 g/mol
- Monoisotopische Masse
- 192,0198274
Namen und Bezeichner
- Bevorzugter Name
- 3-Fluoro-5-(trifluoromethyl)benzaldehyde
- IUPAC
- 3-fluoro-5-(trifluoromethyl)benzaldehyde
- Englischer Name
- 3-Fluoro-5-(trifluoromethyl)benzaldehyde
- Summenformel
- C8H4F4O
- Molmasse
- 192.11
Namen und Synonyme
3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7DTXSID80345582RefChem:93923DTXCID70296655625-512-7UZZYXZWSOWQPIS-UHFFFAOYSA-NBenzaldehyde, 3-fluoro-5-(trifluoromethyl)-MFCD000613123-fluoro-5-trifluoromethylbenzaldehydeSCHEMBL478113SCHEMBL2139979
Weitere Namen anzeigen
5-Tetrafluoro-M-Tolualdehyde4-Hydroxy-4-methoxypropiophenone3-Fluoro-5-formylbenzotrifluorideà,à,à,5-tetrafluoro-m-tolualdehyde3-Fluoro-5-(trifluoromethyl)benzaldehyde>3-Fluoro-5-(trifluoromethyl)benzaldehyde97%3-Fluoro-5-(trifluoromethyl)benzaldehyde 97%alpha,alpha,alpha,5-Tetrafluoro-m-tolualdehyde
SCHEMBL300704633-fluoro-5-trifluromethylbenzaldehydeSBB063638AKOS005255061AB02438AC-3852CS-W015823PS-8340
Datenbank-Bezeichner
- CAS
188815-30-7- PubChem CID
- 605686
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 189
Physikochemische Eigenschaften
- Siedepunkt
- 175 °C · 175 °C (lit.)
- Dichte
- 1.376 g/mL · 1.376 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.45(lit.)
- Flammpunkt
- 159 °F · 159 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- BRN
- 9121754 · 9121754
- InChI
- 1S/C8H4F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H
- InChIKey
- UZZYXZWSOWQPIS-UHFFFAOYSA-N
- SMILES
- Fc1cc(C=O)cc(c1)C(F)(F)F
- CAS Datenbank
- 188815 · 188815-30-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29130000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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