p-Bromphenethylamin

p-Bromophenethylamine

HCID 533915CAS 73918-56-6

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Grundinformationen

Standard-SMILES: NCCc1ccc(Br)cc1
InChIKey: ZSZCXAOQVBEPME-UHFFFAOYSA-N
Summenformel: C8H10BrN
Durchschnittliche Molmasse: 200,08 g/mol
Monoisotopische Masse: 198,99966142

Namen und Bezeichner

Bevorzugter Name: p-Bromophenethylamine
IUPAC: 2-(4-bromophenyl)ethanamine
Lokaler Name: p-Bromphenethylamin
Englischer Name: 2-(4-Bromophenyl)ethylamine
Summenformel: C8H10BrN
Molmasse: 200.08

Namen und Synonyme

4-Bromophenethylamine73918-56-6p-BromophenethylamineEINECS 277-636-2DTXSID20224524RefChem:858010DTXCID50147015277-636-22-(4-bromophenyl)ethylamine2-(4-Bromophenyl)ethanamineBenzeneethanamine, 4-bromo-2-(4-Bromo-phenyl)-ethylamine

Weitere Namen anzeigen

RARECHEM AL BW 02144-Bromophenethanaminep-Bromophenethylamine,98%4-BROMOPHENETHYLAMINE,98%

2-(4-bromophenyl)ethan-1-amine4-bromobenzeneethanamine4-bromophenylethylamineMFCD00008189ZH8651p-BromophenylethylamineCHEMBL476516VMT

Datenbank-Bezeichner

CAS: 73918-56-6
PubChem CID: 533915
DTXSID: DTXSID20224524
ChEMBL: CHEMBL476516
UNII: 649Z5J48K2
EC Number: 277-636-2
Nikkaji: J236.208B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 87,3

Physikochemische Eigenschaften

Siedepunkt: 63 · 63-72 °C/0.2 mmHg (lit.)
Dichte: 1.29 g/mL · 1.29 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.574(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Refrigerator, under inert atmosphere
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
pka: 9.72 · 9.72±0.10(Predicted)
Aggregatzustand: Liquid
Wichte: 1.29 · 1.290
Farbe: Colorless
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey: ZSZCXAOQVBEPME-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=C(Br)C=C1
CAS Datenbank: 73918 · 73918-56-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29214990
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden4-Bromophenethylamine was used in the synthesis of pyrazinoisoquinoline derivatives and N-2-(4-bromophenyl)ethyl chloroacetamide. It was also used in the synthesis of alkyl arylamino sufides employing elemental sulfur and various halides.