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N,N'-Diphenyl-N,N'-di(p-tolyl)benzidine

Catalog Number
ACM20441069-2
CAS Number
20441-06-9
Product Name
N,N'-Diphenyl-N,N'-di(p-tolyl)benzidine
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
4,4'-Bis[N-phenyl-N-(p-tolyl)amino]biphenyl
IUPAC Name
4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
Molecular Weight
516.69
Molecular Formula
C38H32N2
Canonical SMILES
CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=C(C=C6)C
InChI
InChI=1S/C38H32N2/c1-29-13-21-35(22-14-29)39(33-9-5-3-6-10-33)37-25-17-31(18-26-37)32-19-27-38(28-20-32)40(34-11-7-4-8-12-34)36-23-15-30(2)16-24-36/h3-28H,1-2H3
InChI Key
UNZWWPCQEYRCMU-UHFFFAOYSA-N
Boiling Point
165.0 - 169.0 °C
Melting Point
680.1 ± 55.0 °C
Purity
95%+
Density
1.149 ± 0.06 g/ml
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas
Complexity
644
Covalently-Bonded Unit Count
1
Exact Mass
516.256549g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
40
MDL Number
MFCD00799301
Monoisotopic Mass
516.256549g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ 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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
7
Signal Word
Warning
XLogP3
10.8
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