4-(Trifluormethoxy)anilin

4-(Trifluoromethoxy)aniline

HCID 600848CAS 461-82-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1ccc(OC(F)(F)F)cc1
InChIKey: XUJFOSLZQITUOI-UHFFFAOYSA-N
Summenformel: C7H6F3NO
Durchschnittliche Molmasse: 177,12 g/mol
Monoisotopische Masse: 177,04014847

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 4-(Trifluoromethoxy)aniline
IUPAC: 4-(trifluoromethoxy)aniline
Lokaler Name: 4-(Trifluormethoxy)anilin
Englischer Name: 4-(Trifluoromethoxy)aniline
Summenformel: C7H6F3NO
Molmasse: 177.12

Namen und Synonyme

4-(Trifluoromethoxy)aniline461-82-54-trifluoromethoxyanilineP40L42CVF6DTXSID701967224-TFMeARefChem:100561DTXCID10119213207-317-5Benzenamine, 4-(trifluoromethoxy)-p-Trifluoromethoxyaniline4-trifluoromethoxy-phenylamine

Weitere Namen anzeigen

TrifluoromethoxyanilineRiluzole Related CoMpound AAKOS B0160004-(TrifluoroMeRiluzole USP RC ATIMTEC-BB SBB001667Riluzole Impurity 104-Trifluoroethoxyaniline

MFCD000413144-trifluoromethoxyphenylaminep-aminotrifluoromethoxybenzenep-Aminophenyl trifluoromethyl ether4-(trifluoromethoxy)phenylamine4-(trifluoromethoxy)benzenamineUNII-P40L42CVF6EINECS 207-317-5

Datenbank-Bezeichner

CAS: 461-82-5
PubChem CID: 600848
DTXSID: DTXSID70196722
UNII: P40L42CVF6
EC Number: 207-317-5
Nikkaji: J196.180B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 140

Experimentelle und physikochemische Eigenschaften

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Siedepunkt: 73 · 73-75 °C10 mm Hg(lit.)
Dichte: 1.32 g/mL · 1.32 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.463(lit.)
Flammpunkt: 177 °F · 177 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka: 3.75 · 3.75±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wichte: 1.31 · 1.310
BRN: 2090209 · 2090209
Stabilität: Hygroscopic
InChI: InChI=1S/C7H6F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
InChIKey: XUJFOSLZQITUOI-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OC(F)(F)F)C=C1
CAS Datenbank: 461 · 461-82-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Commission Regulation No 844/2012

Status: Active Update: 25-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11758

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 2
ridadr: UN 2941 6.1/PG 3
hs_code: 29222900
risk_code: 24/25-33-38-41-36/37/38-20/21/22
hazard_code: T,Xi,Xn
hazard_note: Toxic
safety_code: 26-36/37/39-45-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 DermalAcute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT RE 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Trifluoromethoxy)aniline was used in the synthesis of:side-group liquid-crystalline polymethacrylates with fluorine-containing mesogensderivatives of 3-(quinolin-3-yl)acrylatesseries of novel Shiff bases, via condensation with pyridinecarboxaldehydes in the presence of molecular sieves