N-Phenyl-4-(phenylazo)anilin

4-Benzeneazodiphenylamine

HCID 7575CAS 101-75-7

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Grundinformationen

Standard-SMILES: c1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1
InChIKey: VXLFYNFOITWQPM-UHFFFAOYSA-N
Summenformel: C18H15N3
Durchschnittliche Molmasse: 273,3 g/mol
Monoisotopische Masse: 273,12659748

Namen und Bezeichner

Bevorzugter Name: 4-Benzeneazodiphenylamine
IUPAC: N-phenyl-4-phenyldiazenylaniline
Lokaler Name: N-Phenyl-4-(phenylazo)anilin
Englischer Name: 4-(PHENYLAZO)DIPHENYLAMINE
Summenformel: C18H15N3
Molmasse: 273.33

Namen und Synonyme

4-(Phenylazo)diphenylamine4-BenzeneazodiphenylamineN-Phenyl-4-(phenylazo)aniline4(phenylazo)diphenylamineDTXSID10592384AnilinoazobenzeneAzobenzene, 4anilinoNPhenyl4aminoazobenzene4(Phenylamino)azobenzeneRefChem:518395NPhenyl4(phenylazo)anilineDiphenylamine, 4(phenylazo)

Weitere Namen anzeigen

BENZENEAZODIPHENYLAMINENsc 747744-Azobenzeneaniline4-anilino-azobenzenP-PHENYLAZODIPHENYLAMINE4- phenazodiphenylamine4-(phenylamino)azobenzene

DTXCID4032588Benzenamine, Nphenyl4(phenylazo)Benzenamine, Nphenyl4(2phenyldiazenyl)202-972-3101-75-74-Anilinoazobenzene4-PhenylazodiphenylamineAzobenzene, 4-anilino-

Datenbank-Bezeichner

CAS: 101-75-7
PubChem CID: 7575
DTXSID: DTXSID1059238
EC Number: 202-972-3
Nikkaji: J87.540F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,4
Polarare Oberfläche (TPSA): 36,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 21
Formalladung: 0
Komplexität: 308

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Azo Dyes

Physical DescriptionOrange powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 87 · 87-91 °C
Siedepunkt: 406.35 °C · 406.35°C (rough estimate)
Dichte: 1.0332 · 1.0332 (rough estimate)
Brechungsindex: 1.548 · 1.5480 (estimate)
storage temp.: room temp
Löslichkeit: Solubility Insoluble in water; soluble in ethanol, methanol
pka: 0.42 · 0.42(at 25℃)
Aggregatzustand: Fine Crystalline Powder
Farbe: Orange
BRN: 749359 · 749359
Major Application: Display device, nonlinear optial (NLO) material, photoresists, printing plates, lithographic plates, photosensitive materials, photography, markers
InChI: InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H
InChIKey: VXLFYNFOITWQPM-UHFFFAOYSA-N
SMILES: C1(NC2=CC=CC=C2)=CC=C(N=NC2=CC=CC=C2)C=C1
CAS Datenbank: 101 · 101-75-7(CAS DataBase Reference)
EPA chemische Informationen: -4 · Benzenamine, N-phenyl-4-(phenylazo)- (101-75-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 9.8% (5 of 51) of reports.

Warning

H302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.