N-Methyl-4-(trifluoromethyl)aniline

HCID 15099755CAS 22864-65-9

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Grundinformationen

Standard-SMILES: CNc1ccc(C(F)(F)F)cc1
InChIKey: UTUYWZJPVLDHJJ-UHFFFAOYSA-N
Summenformel: C8H8F3N
Durchschnittliche Molmasse: 175,15 g/mol
Monoisotopische Masse: 175,06088392

Namen und Bezeichner

Bevorzugter Name: N-Methyl-4-(trifluoromethyl)aniline
IUPAC: N-methyl-4-(trifluoromethyl)aniline
Englischer Name: 4-Trifluoromethyl-N-methylaniline 97
Summenformel: C8H8F3N
Molmasse: 175.15

Namen und Synonyme

N-methyl-4-(trifluoromethyl)aniline22864-65-9DTXSID30568183RefChem:364477DTXCID40518957626-543-94-(Trifluoromethyl)-N-methylanilineMFCD07369717BENZENAMINE, N-METHYL-4-(TRIFLUOROMETHYL)-N-Methyl-4-trifluoromethylaniline4-TRIFLUOROMETHYL-N-METHYLANILINE 97METHYL-(4-TRIFLUOROMETHYL-PHENYL)-AMINE

Weitere Namen anzeigen

Fluoxetine impurity FXT4-(Trifluoromethyl)-N<Fluoxetine impurity FXT-VN-Methyl-4-(trifluoromethyl)4-(Methylamino)benzotrifluorideN-Methyl-p-trifluoromethylaniline4-(Methylamino)benzotrifluoride 98%4-Trifluoromethyl-N-methylaniline 974-(Trifluoromethyl)-N-methylaniline 97%N-Methyl-4-(trifluoromethyl)-benzenamine

CS-M1968N-methyl-p-(trifluoromethyl)anilineAKOS000256655F8883-1311methyl[4-(trifluoromethyl)phenyl]amineSCHEMBL130264SCHEMBL1547498SCHEMBL1776928

Datenbank-Bezeichner

CAS: 22864-65-9
PubChem CID: 15099755
DTXSID: DTXSID30568183
EC Number: 626-543-9
Nikkaji: J1.052.980H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Siedepunkt: 105 · 105-106 °C/20 mmHg (lit.)
Dichte: 1.2394 g/mL · 1.2394 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4888(lit.)
Flammpunkt: 210 °F · 210 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: clear liquid
pka: 2.58 · 2.58±0.12(Predicted)
Farbe: Colorless to Light orange to Yellow
InChI: 1S/C8H8F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3
InChIKey: UTUYWZJPVLDHJJ-UHFFFAOYSA-N
SMILES: CNc1ccc(cc1)C(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Sicherheitsdaten

wgk: 3
hs_code: 2921430090
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Trifluoromethyl)-N-methylaniline is used in the synthesis of Tasquinimod (T007820), an orally active antiangiogenic agent which may inhibit HDAC4 signalling. This affects cancer cell survival thus making this compound and anti-cancer agent.