4-(2,2,2-Trifluoroethyl)aniline

HCID 14836858

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Grundinformationen

CAS: 131395-17-0
Standard-SMILES: Nc1ccc(CC(F)(F)F)cc1
InChIKey: DALKOEVEKVKJQX-UHFFFAOYSA-N
Summenformel: C8H8F3N
Durchschnittliche Molmasse: 175,15 g/mol
Monoisotopische Masse: 175,06088375

Namen und Bezeichner

Bevorzugter Name: 4-(2,2,2-Trifluoroethyl)aniline
IUPAC: 4-(2,2,2-trifluoroethyl)aniline
Englischer Name: 4-(2,2,2-Trifluoroethyl)aniline
Summenformel: C8H8F3N
Molmasse: 175.15

Namen und Synonyme

4-(2,2,2-Trifluoroethyl)aniline131395-17-0DTXSID30564544RefChem:286827DTXCID40515320834-344-5Benzenamine, 4-(2,2,2-trifluoroethyl)-MFCD049729854-(222-Trifluoroethyl)anilineSCHEMBL10570HUTUOLVNEWOEJC-UHFFFAOYSA-N4-(2,2,2-trifluorethyl)aniline

Weitere Namen anzeigen

4-(2,2,2-Trifluoroethyl)

4-(2,2,2-trifluoroethyl)-aniline4-(2,2,2-trifluoro-ethyl)-anilineAKOS006295181AB21252DS-29224-(2,2,2-trifluoro-ethyl)-phenylamineSY192559TS-02415

Datenbank-Bezeichner

CAS: 131395-17-0
PubChem CID: 14836858
DTXSID: DTXSID30564544
EC Number: 834-344-5
Nikkaji: J3.093.985I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Siedepunkt: 195.3 · 195.3±40.0 °C(Predicted)
Dichte: 1.242 · 1.242±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 4.18 · 4.18±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.