N,N'-Diphenylbenzidin

N,N'-Diphenylbenzidine

HCID 68280CAS 531-91-9

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Grundinformationen

Standard-SMILES: c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1
InChIKey: FDRNXKXKFNHNCA-UHFFFAOYSA-N
Summenformel: C24H20N2
Durchschnittliche Molmasse: 336,4 g/mol
Monoisotopische Masse: 336,16264864

Namen und Bezeichner

Bevorzugter Name: N,N'-Diphenylbenzidine
IUPAC: 4-(4-anilinophenyl)-N-phenylaniline
Lokaler Name: N,N'-Diphenylbenzidin
Englischer Name: N,N'-Diphenylbenzidine
Summenformel: C24H20N2
Molmasse: 336.43

Namen und Synonyme

N,N'-Diphenylbenzidine531-91-9N4,N4'-Diphenyl-[1,1'-biphenyl]-4,4'-diamineDiphenylbenzidineBenzidine, N,N'-diphenyl-[1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-UNII-8IO8V406YPN,N-Diphenylbenzidine8IO8V406YPNSC 4310NSC-4310EINECS 208-521-7

Weitere Namen anzeigen

DFRRN,N'-DiphenyLDEPHENYLBENZIDINETIMTEC-BB SBB002946Benzidine, N,N'-diphN'-DiphenylbenzidineN,N-DiphenylbenzidneN,N'-DiphenylbenzidiSYM-DIPHENYLBENZIDINE

AI3-18241DTXSID0060197(1,1'-Biphenyl)-4,4'-diamine, N,N'-diphenyl-N,N'-DIPHENYLBENZIDINE [MI]4,4'-BIS(PHENYLAMINO)-1,1'-BIPHENYLN(4),N(4')-Diphenyl-biphenyl-4,4'-diamineN4,N4'-DIPHENYL-(1,1'-BIPHENYL)-4,4'-DIAMINEBenzidine, N,N'diphenyl

Datenbank-Bezeichner

CAS: 531-91-9
PubChem CID: 68280
DTXSID: DTXSID0060197
UNII: 8IO8V406YP
EC Number: 208-521-7
Nikkaji: J6.982E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,6
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 26
Formalladung: 0
Komplexität: 343

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Benzidine and Derivatives

Physical DescriptionSolid; [Merck Index] Grey odorless powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 246 · 246-248 °C(lit.)
Siedepunkt: 462.9 °C · 462.9°C (rough estimate)
Dichte: 1.175 · 1.1750 (rough estimate)
Dampfdichte: 11.6 · 11.6 (vs air)
Brechungsindex: 1.762 · 1.7620 (estimate)
Flammpunkt: 110 °C · >110°C
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Acetone (Slightly), DMF (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly, Sonicated)
Aggregatzustand: Fine Crystalline Powder
pka: 1.31 · 1.31±0.40(Predicted)
Farbe: Gray to brownish
Wasserlöslichkeit: Insoluble in water.
Merck: 14 · 14,3319
BRN: 2220993 · 2220993
InChI: 1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H
InChIKey: FDRNXKXKFNHNCA-UHFFFAOYSA-N
SMILES: N(c1ccccc1)c2ccc(cc2)-c3ccc(Nc4ccccc4)cc3
CAS Datenbank: 531 · 531-91-9(CAS DataBase Reference)
NIST chemische Informationen: 1 · [1,1'-Biphenyl]-4,4'-diamine, n,n'-diphenyl-(531-91-9)
EPA chemische Informationen: 1 · [1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl- (531-91-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: [1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-

[1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Benzidine and Diphenylamine.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
ridadr: 2811
hs_code: 29215900
hazard_code: Xi
safety_code: 22-24/25
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesSee Diphenylamine. [Merck Index]

General Manufacturing Information[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-diphenyl-: ACTIVE

Anwendungen

VerwendenN,N'-Diphenylbenzidine is an indicator suitable for redox titrations, e.g. with dichromate or cerium(IV) sulfate 1,2. It is also used as intermediates in organic synthesis.