4-Fluoro-3-(trifluoromethyl)benzaldehyde

HCID 522269CAS 67515-60-0

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Grundinformationen

Standard-SMILES: O=Cc1ccc(F)c(C(F)(F)F)c1
InChIKey: BIUDHHGROGJSHN-UHFFFAOYSA-N
Summenformel: C8H4F4O
Durchschnittliche Molmasse: 192,11 g/mol
Monoisotopische Masse: 192,0198274

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-3-(trifluoromethyl)benzaldehyde
IUPAC: 4-fluoro-3-(trifluoromethyl)benzaldehyde
Englischer Name: 4-Fluoro-3-(trifluoromethyl)benzaldehyde
Summenformel: C8H4F4O
Molmasse: 192.11

Namen und Synonyme

4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-0DTXSID10334904RefChem:98969DTXCID20285993626-222-3BIUDHHGROGJSHN-UHFFFAOYSA-N4-fluoro-3-trifluoromethylbenzaldehydeMFCD00061314Benzaldehyde, 4-fluoro-3-(trifluoromethyl)-4-Fluoro-3-(trifluoromethyl)4-fluoro-3-trifluromethylbenzaldehyde

Weitere Namen anzeigen

3,6-Dichloropropiophenone4-tetrafluoro-m-tolualdehyde2-Fluoro-5-formylbenzotrifluorideà,à,à,4-tetrafluoro-m-tolualdehyde3-TRIFLUOROMETHYL-4-FLUOROBENZALDEHYDE4-Fluoro-3-(trifluoromethyl)benzaldehyde>4-Fluoro-3-(trifluoromethyl)benzaldehyde97%4-Fluoro-3-(trifluoromethyl)benzaldehyde 97%

4-fluoro-3-trifluoromethyl-benzaldehyde3-(trifluoromethyl)-4-fluoro-benzaldehydeSCHEMBL67628SCHEMBL2140487SCHEMBL27974286SBB0636594fluoro-3-trifluoromethyl benzaldehydeAKOS005259737

Datenbank-Bezeichner

CAS: 67515-60-0
PubChem CID: 522269
DTXSID: DTXSID10334904
EC Number: 626-222-3
Nikkaji: J1.726.154A

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: 178 °C · 178 °C(lit.)
Dichte: 1.408 g/mL · 1.408 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.457(lit.)
Flammpunkt: 176 °F · 176 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 1.41 · 1.41
BRN: 1958528 · 1958528
InChI: 1S/C8H4F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
InChIKey: BIUDHHGROGJSHN-UHFFFAOYSA-N
SMILES: Fc1ccc(C=O)cc1C(F)(F)F
CAS Datenbank: 67515 · 67515-60-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 7 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.