CAS 209980-53-0 N,N'-Bis[4-(diphenylamino)phenyl]-N,N'-diphenylbenzidine

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Organic Light-Emitting Diode (OLED) Materials

N,N'-Bis[4-(diphenylamino)phenyl]-N,N'-diphenylbenzidine

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Catalog Number

ACM209980530-1

Product Name

N,N'-Bis[4-(diphenylamino)phenyl]-N,N'-diphenylbenzidine

CAS

209980-53-0

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

1-N,1-N,4-N-Triphenyl-4-N-[4-[4-(N-[4-(N-Phenylanilino)Phenyl]Anilino)Phenyl]Phenyl]Benzene-1,4-Diamine

IUPAC Name

1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine

Molecular Weight

823.06

Molecular Formula

C60H46N4

Canonical SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C60H46N4/c1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)57-39-43-59(44-40-57)63(53-27-15-5-16-28-53)55-35-31-47(32-36-55)48-33-37-56(38-34-48)64(54-29-17-6-18-30-54)60-45-41-58(42-46-60)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-46H

InChI Key

XOYZGLGJSAZOAG-UHFFFAOYSA-N

Boiling Point

248.0 - 252.0 °C

Melting Point

250 °C

Purity

95%+

Appearance

White to Orange to Green powder to crystal

Storage

Store under inert gas

Complexity

1150

Covalently-Bonded Unit Count

Exact Mass

822.372247g/mol

Formal Charge

Hazard Statements

H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD06797058

Monoisotopic Mass

822.372247g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P311 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Rotatable Bond Count

Signal Word

Danger

XLogP3

16.5

MSDS

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COA

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Spec Sheet

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