m-(Trifluormethyl)phenethylamin

Phenethylamine, m-trifluoromethyl-

HCID 104223CAS 52516-30-0

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Grundinformationen

Standard-SMILES: NCCc1cccc(C(F)(F)F)c1
InChIKey: BPVYCXMGJPKOTQ-UHFFFAOYSA-N
Summenformel: C9H10F3N
Durchschnittliche Molmasse: 189,18 g/mol
Monoisotopische Masse: 189,07653398

Namen und Bezeichner

Bevorzugter Name: Phenethylamine, m-trifluoromethyl-
IUPAC: 2-[3-(trifluoromethyl)phenyl]ethanamine
Lokaler Name: m-(Trifluormethyl)phenethylamin
Englischer Name: 3-(Trifluoromethyl)phenethylamine
Summenformel: C9H10F3N
Molmasse: 189.18

Namen und Synonyme

52516-30-02-(3-trifluoromethylphenyl)ethylaminePhenethylamine, m-trifluoromethyl-m-(Trifluoromethyl)phenethylaminem-TrifluoromethylphenethylamineBRN 4398117EINECS 257-988-3DTXSID90200517RefChem:860590DTXCID20123008257-988-33-(trifluoromethyl)phenethylamine

Weitere Namen anzeigen

RARECHEM AL BW 0212m-trifluoromethyl-phenethylamin3-(2-AMINOETHYL)BENZOTRIFLUORIDE2-(3-Trifluoromethylphenyl)ethanamine2-(3-Trifluoromethylphenyl)rthylamine3-(Trifluoromethyl)phenethylamine ,98%

2-(3-(trifluoromethyl)phenyl)ethanamine2-[3-(trifluoromethyl)phenyl]ethanamineMFCD000407562-[3-(trifluoromethyl)phenyl]ethylamineBenzeneethanamine, 3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]ethan-1-amine3-(Trifluoromethyl)benzeneethanamine3-trifluoromethylphenethylamine

Datenbank-Bezeichner

CAS: 52516-30-0
PubChem CID: 104223
DTXSID: DTXSID90200517
ChEMBL: CHEMBL448523
UNII: 49F5H9E5Y4
EC Number: 257-988-3
Nikkaji: J79.063J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Siedepunkt: 77 °C · 77 °C
Dichte: 1.186 · 1.186
Brechungsindex: 1.4635 · 1.4635-1.4655
Flammpunkt: 81 ℃ · 81℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Liquid
pka: 9.73 · 9.73±0.10(Predicted)
Farbe: Colorless to pale yellow
CAS Datenbank: 52516 · 52516-30-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)

Sicherheitsdaten

ridadr: 2735
hs_code: 29214990
risk_code: 34-36/37/38
hazard_code: C
hazard_note: Corrosive
safety_code: 45-36/37/39-25
hazard_class: 8
packing_group: II

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites2-(3-(Trifluoromethyl)phenyl)ethanamine is a known human metabolite of (s)-norfenfluramine.

Anwendungen

Verwenden3-(TRIFLUOROMETHYL)PHENETHYLAMINE is an organic compound commonly used as an intermediate in the chemical synthesis of pharmaceuticals and pesticides.