4-Bromotriphenylamine

HCID 642838CAS 36809-26-4

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Grundinformationen

Standard-SMILES: Brc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIKey: SQTLUXJWUCHKMT-UHFFFAOYSA-N
Summenformel: C18H14BrN
Durchschnittliche Molmasse: 324,2 g/mol
Monoisotopische Masse: 323,03096155

Namen und Bezeichner

Bevorzugter Name: 4-Bromotriphenylamine
IUPAC: 4-bromo-N,N-diphenylaniline
Englischer Name: 4-Bromotriphenylamine
Summenformel: C18H14BrN
Molmasse: 324.21

Namen und Synonyme

4-Bromotriphenylamine36809-26-4DTXSID40349081RefChem:520592DTXCID00300153628-532-44-bromo-N,N-diphenylaniline(4-Bromophenyl)diphenylamine(4-Bromo-phenyl)-diphenyl-amine4-bromo triphenylaminebenzenamine, 4-bromo-N,N-diphenyl-MFCD01851266

Weitere Namen anzeigen

BromotriphenylamineK00624-BTPA4-BromotriphenyL4-Bromotrienidine4-Bromotrianiline4-BROOTRIPHENYLAMINE4- broMothree aniline

(p-bromophenyl)diphenylamineAKOS015835633(4-Bromophenyl)diphenylamine;4-bromotriphenylamine 4-bromo-N,N-diphenylanilineN,N-diphenyl-4-bromoaniline4-bromo-n,n-diphenyl-aniline4bromotriphenylaminen-(4-bromophenyl)-n-phenylbenzenamine4-bromophenyldiphenylamine

Datenbank-Bezeichner

CAS: 36809-26-4
PubChem CID: 642838
DTXSID: DTXSID40349081
EC Number: 628-532-4
Nikkaji: J1.502.673A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,4
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 255

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 108 · 108-112 °C (lit.)
Siedepunkt: 185 °C · 185 °C / 2.5mmHg
Dichte: 1.369 · 1.369±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to crystal
pka: -3.66 · -3.66±0.30(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C18H14BrN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H
InChIKey: SQTLUXJWUCHKMT-UHFFFAOYSA-N
SMILES: C1(N(C2=CC=CC=C2)C2=CC=CC=C2)=CC=C(Br)C=C1
CAS Datenbank: 36809 · 36809-26-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29214200
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung4-Bromotriphenylamine (BTPA) is a bromoaniline compound that can be used as a polymer monomer. Its copolymerisation with p-triphenyl and N-methyl-1-piperidone yields a series of poly(4-bromotriphenylamine-co-p-triphenylpiperidinium) (PBTTP-x) copolymers. The rigid and rotatable BTPA units exhibit a triangular pyramidal geometry, which both generates steric hindrance to suppress polymer chain entanglement and creates additional free volume. Furthermore, the introduction of the BTPA monomer enables efficient ion transport whilst protecting cationic groups from OH− attack via steric hindrance. PBTTP-x copolymers effectively enhance the performance of anion exchange membranes (AEMs)[2].