p-Fluorphenethylamin

p-Fluorophenethylamine

HCID 4653CAS 1583-88-6

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Grundinformationen

Standard-SMILES: NCCc1ccc(F)cc1
InChIKey: CKLFJWXRWIQYOC-UHFFFAOYSA-N
Summenformel: C8H10FN
Durchschnittliche Molmasse: 139,17 g/mol
Monoisotopische Masse: 139,07972754

Namen und Bezeichner

Bevorzugter Name: p-Fluorophenethylamine
IUPAC: 2-(4-fluorophenyl)ethanamine
Lokaler Name: p-Fluorphenethylamin
Englischer Name: 4-Fluorophenethylamine
Summenformel: C8H10FN
Molmasse: 139.17

Namen und Synonyme

4-Fluorophenethylamine2-(4-Fluorophenyl)ethanamine2-(4-fluorophenyl)ethylamine2-(4-fluorophenyl)ethan-1-amineP-fluorophenethylamine(p-fluorophenyl)ethylamineS7W3CQD7N7EINECS 216-435-62-(p-fluorophenyl)ethylamine4-(2-aminoethyl)fluorobenzene4-FLUOROBENZENEETHANAMINEDTXSID70166400

Weitere Namen anzeigen

AURORA KA-7015RARECHEM AL BW 02154-Fluorophenethanamine4-FLUOROPHENYLETHYLAMINE4-Fluoro-benzeneethanaMine4-Fluorophenethylamine 99%4-FLUOROPHENETHYLAMINE,99+%

RefChem:169318DTXCID9088891216-435-6CKLFJWXRWIQYOC-UHFFFAOYSA-N1583-88-6Benzeneethanamine, 4-fluoro-2-(4-fluoro-phenyl)-ethylamineMFCD00134208

Datenbank-Bezeichner

CAS: 1583-88-6
PubChem CID: 4653
DTXSID: DTXSID70166400
ChEMBL: CHEMBL217315
UNII: S7W3CQD7N7
EC Number: 216-435-6
Nikkaji: J40.736D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 87,3

Physikochemische Eigenschaften

Siedepunkt: 50 · 50-52 °C/0.15 mmHg (lit.)
Dichte: 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5072(lit.)
Flammpunkt: 174 °F · 174 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.84 · 9.84±0.10(Predicted)
Aggregatzustand: Liquid
Wichte: 1.061 · 1.061
Farbe: Yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey: CKLFJWXRWIQYOC-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=C(F)C=C1
CAS Datenbank: 1583 · 1583-88-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (93.2%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2922 8/PG 2
hs_code: 29214200
risk_code: 23/24/25-34
hazard_code: T,C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: Ⅱ
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Fluorophenethylamine may be employed as nucleophile in the synthesis of 2-amino-4-arylpyrimidine derivatives. It is suitable for use in the preparation of ortho-metalated primary phenethylamines having electron-releasing and electron-withdrawing groups on the aromatic ring, leading to complexes containing six membered palladacycles.