4,4'-Dibromotriphenylamine

HCID 13594707

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Grundinformationen

CAS: 81090-53-1
Standard-SMILES: Brc1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1
InChIKey: KIGVOJUDEQXKII-UHFFFAOYSA-N
Summenformel: C18H13Br2N
Durchschnittliche Molmasse: 403,1 g/mol
Monoisotopische Masse: 400,94147362

Namen und Bezeichner

Bevorzugter Name: 4,4'-Dibromotriphenylamine
IUPAC: 4-bromo-N-(4-bromophenyl)-N-phenylaniline
Englischer Name: 4,4'-Dibromotriphenylamine
Summenformel: C18H13Br2N
Molmasse: 403.11

Namen und Synonyme

4,4'-DibromotriphenylamineRefChem:506624626-530-881090-53-14-Bromo-N-(4-bromophenyl)-N-phenylanilineMFCD00060104Dibromotriphenylamine4-bromo-N-(4-bromophenyl)-N-phenylBenzenamineAKOS015901922D56034,4'-Dibromotriphenylamine (purified by sublimation)4,4-Dibromotriphenylamine

Weitere Namen anzeigen

DBTPAK00644,4-dibromotrisamine4,4-Dibromotrianiline-DIBROMOTRIPHENYLAMINEBis(4-bromophenyl)phenyla

4,4'-Dibromo-triphenylamineC18H13Br2NN,N-Bis(p-bromophenyl)aniline4,4''-Dibromotriphenylamine4,4\'-DibromotriphenylamineBenzenamine, 4-bromo-N-(4-bromophenyl)-N-phenyl-SCHEMBL6808154,4 inverted exclamation mark -Dibromotriphenylamine

Datenbank-Bezeichner

CAS: 81090-53-1
PubChem CID: 13594707
DTXSID: DTXSID50544606
EC Number: 626-530-8
Nikkaji: J208.439B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7,1
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 21
Formalladung: 0
Komplexität: 278

Physikochemische Eigenschaften

Schmelzpunkt: 69 °C · 69°C
Siedepunkt: 470.7 · 470.7±30.0 °C(Predicted)
Dichte: 1.593 · 1.593
Flammpunkt: 110 °C · 110 °C
storage temp.: Inert atmosphere,Room Temperature
pka: -4.29 · -4.29±0.50(Predicted)
Aggregatzustand: Solid
Farbe: Off-white
InChI: InChI=1S/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKey: KIGVOJUDEQXKII-UHFFFAOYSA-N
SMILES: C1(N(C2=CC=C(Br)C=C2)C2=CC=CC=C2)=CC=C(Br)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29214990
risk_code: 36/37/38-43-22
hazard_code: Xn
safety_code: 26-36/37/39-36/37
Speicherklasse: 12 - Non Combustible Liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen

Beschreibung4,4′-Dibromotriphenylamine is a brominated derivative of aniline, a primary aromatic amine. It is a synthetic reagent for proteomics research. It is also employed as a starting material in the synthesis of various compounds.

VerwendenPolytriarylamine Semiconductors