CAS 199121-98-7 N,N'-Bis[4-di(m-tolyl)aminophenyl]-N,N'-diphenylbenzidine

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Organic Light-Emitting Diode (OLED) Materials

N,N'-Bis[4-di(m-tolyl)aminophenyl]-N,N'-diphenylbenzidine

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Catalog Number

ACM199121987-2

Product Name

N,N'-Bis[4-di(m-tolyl)aminophenyl]-N,N'-diphenylbenzidine

Structure

CAS

199121-98-7

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

DNTPD

IUPAC Name

1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine

Molecular Weight

879.16

Molecular Formula

C64H54N4

Canonical SMILES

CC1=CC(=CC=C1)N(C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)N(C8=CC=CC(=C8)C)C9=CC=CC(=C9)C)C1=CC=CC(=C1)C

InChI

InChI=1S/C64H54N4/c1-47-15-11-23-61(43-47)67(62-24-12-16-48(2)44-62)59-39-35-57(36-40-59)65(53-19-7-5-8-20-53)55-31-27-51(28-32-55)52-29-33-56(34-30-52)66(54-21-9-6-10-22-54)58-37-41-60(42-38-58)68(63-25-13-17-49(3)45-63)64-26-14-18-50(4)46-64/h5-46H,1-4H3

InChI Key

SPDPTFAJSFKAMT-UHFFFAOYSA-N

Melting Point

196 °C

Purity

>98.0%(HPLC)

Appearance

White to Orange to Green powder to crystal

Storage

Store under inert gas

Complexity

1290

Covalently-Bonded Unit Count

Exact Mass

878.434848g/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

MFCD22372686

Monoisotopic Mass

878.434848g/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

MSDS

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COA

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Spec Sheet

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