3,4,5-Trifluorobenzaldehyde

HCID 2776954

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Grundinformationen

CAS: 132123-54-7
Standard-SMILES: O=Cc1cc(F)c(F)c(F)c1
InChIKey: NLAVHUUABUFSIG-UHFFFAOYSA-N
Summenformel: C7H3F3O
Durchschnittliche Molmasse: 160,09 g/mol
Monoisotopische Masse: 160,01359938

Namen und Bezeichner

Bevorzugter Name: 3,4,5-Trifluorobenzaldehyde
IUPAC: 3,4,5-trifluorobenzaldehyde
Englischer Name: 3,4,5-Trifluorobenzaldehyde
Summenformel: C7H3F3O
Molmasse: 160.09

Namen und Synonyme

3,4,5-Trifluorobenzaldehyde132123-54-7DTXSID90380308RefChem:270582DTXCID30331334603-550-5Benzaldehyde, 3,4,5-trifluoro-MFCD000835233,4,5-Trifluoro-benzaldehydeSCHEMBL48658CL8293AKOS004911140

Weitere Namen anzeigen

uorobenzaL3,4,5-TrifLEthylisocyanoaceatae3,4,5-fluorobenzaldehyde3,4,5-trifluorobenzadehyde3,4,5-Trifluorobenzaldenyde3,4,5-trifluorobrnzaldehyde3,4,5-Trilfuoro Benzaldehyde3,4,5-Trifluorobenzaldehyde98%

CS-W017942AC-3862SY022934T2321Z1080487078AM613213,4,5-triflourobenzaldehyde3,4,5-trifluoro benzaldehyde

Datenbank-Bezeichner

CAS: 132123-54-7
PubChem CID: 2776954
DTXSID: DTXSID90380308
EC Number: 603-550-5
Nikkaji: J1.568.821A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Physikochemische Eigenschaften

Schmelzpunkt: 25.3 °C · 25.3 °C
Siedepunkt: 174 °C · 174 °C (lit.)
Dichte: 1.42 g/mL · 1.42 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.482(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: 2.2 g/l · 2.2g/l
Aggregatzustand: Liquid After Melting
Farbe: Clear colorless to slightly yellow
BRN: 7805841 · 7805841
InChI: 1S/C7H3F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChIKey: NLAVHUUABUFSIG-UHFFFAOYSA-N
SMILES: Fc1cc(C=O)cc(F)c1F
CAS Datenbank: 132123 · 132123-54-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (83.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (83.3%)

Sicherheitsdaten

wgk: 1
ridadr: UN 2810 6.1 / PGIII
hs_code: 29130000
risk_code: 61-36/37/38-51/53-43-22-25
hazard_code: T,Xi
safety_code: 53-26-36-45-57-36/37/39-29-59
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Repr. 1BSkin Sens. 1