p-(Trifluormethyl)benzaldehyd

4-(Trifluoromethyl)benzaldehyde

HCID 67996CAS 455-19-6

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Grundinformationen

Standard-SMILES: O=Cc1ccc(C(F)(F)F)cc1
InChIKey: BEOBZEOPTQQELP-UHFFFAOYSA-N
Summenformel: C8H5F3O
Durchschnittliche Molmasse: 174,12 g/mol
Monoisotopische Masse: 174,02924944

Überblick

4-(trifluoromethyl)benzaldehyde is a member of benzaldehydes.

Namen und Bezeichner

Bevorzugter Name: 4-(Trifluoromethyl)benzaldehyde
IUPAC: 4-(trifluoromethyl)benzaldehyde
Lokaler Name: p-(Trifluormethyl)benzaldehyd
Englischer Name: 4-(Trifluoromethyl)benzaldehyde
Summenformel: C8H5F3O
Molmasse: 174.12

Namen und Synonyme

4-(Trifluoromethyl)benzaldehyde455-19-6Benzaldehyde, 4-(trifluoromethyl)-DTXSID00600164-(trifluoromethyl)-benzaldehydePara-(trifluoromethyl)benzaldehydeRefChem:517124DTXCID4040424207-240-74-Trifluoromethylbenzaldehyde1-Formyl-4-trifluoromethylbenzenep-Trifluoromethylbenzaldehyde

Weitere Namen anzeigen

PTF-BAD4-(TrifLAKOS BBS-00003257LABOTEST-BB LT006162704-Trifluormethyl-benzaldehyd4-(trifluoromethy)benzaldehyd4-(TRIFLUOROMETHY)BENZALDEHYDEP-（Trifluoromethy)benzaldehydeA,A,A-TRIFLUORO-P-TOLUALDEHYDE

alpha,alpha,alpha-Trifluoro-p-tolualdehydeMFCD00006952p-(Trifluoromethyl)benzaldehyde4-trifluoromethyl benzaldehyde.alpha.,.alpha.,.alpha.-Trifluoro-p-tolualdehyde4'-trifluoromethyl benzaldehyde4-trifluoromethyl-benzaldehydeEINECS 207-240-7

Datenbank-Bezeichner

CAS: 455-19-6
PubChem CID: 67996
DTXSID: DTXSID0060016
ChEMBL: CHEMBL4473405
ChEBI: CHEBI:156309
EC Number: 207-240-7
Nikkaji: J43.130C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Schmelzpunkt: 1 · 1-2°C
Siedepunkt: 66 · 66-67 °C13 mm Hg(lit.)
Dichte: 1.275 g/mL · 1.275 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.463(lit.)
Flammpunkt: 150 °F · 150 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: 1.5 g/l · 1.5g/l
Aggregatzustand: Liquid
Wichte: 1.275 · 1.275
Farbe: Clear colorless to yellow
Wasserlöslichkeit: 1.5 g/L · Soluble in water. 1.5 g/L at 20°C
BRN: 1101680 · 1101680
InChI: 1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChIKey: BEOBZEOPTQQELP-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(cc1)C(F)(F)F
CAS Datenbank: 455 · 455-19-6(CAS DataBase Reference)
NIST chemische Informationen: 3 C6H4CHO · p-CF3C6H4CHO(455-19-6)
EPA chemische Informationen: 4 · Benzaldehyde, 4-(trifluoromethyl)- (455-19-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information4-(Trifluoromethyl)-benzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (16.4%)

Sicherheitsdaten

F: 10-23
wgk: 3
tsca: TSCA listed
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: IRRITANT, AIR SENSITIVE
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzaldehyde, 4-(trifluoromethyl)-: ACTIVE

Anwendungen

Verwenden4-(Trifluoromethyl)benzaldehyde is a reactant that has been used in the preparation of N,N''-(Arylmethylene)bisamides with cytotoxic activity as anti cancer agents.