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9,10-Bis[N-(p-tolyl)anilino]anthracene

Catalog Number
ACM190974211-2
CAS Number
190974-21-1
Product Name
9,10-Bis[N-(p-tolyl)anilino]anthracene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
N,N'-Diphenyl-N,N'-di(p-tolyl)-9,10-anthracenediamine
IUPAC Name
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
Molecular Weight
540.71
Molecular Formula
C40H32N2
Canonical SMILES
CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)N(C6=CC=CC=C6)C7=CC=C(C=C7)C
InChI
InChI=1S/C40H32N2/c1-29-21-25-33(26-22-29)41(31-13-5-3-6-14-31)39-35-17-9-11-19-37(35)40(38-20-12-10-18-36(38)39)42(32-15-7-4-8-16-32)34-27-23-30(2)24-28-34/h3-28H,1-2H3
InChI Key
HTJPPQKJCPTAED-UHFFFAOYSA-N
Boiling Point
327 °C
Melting Point
723.8 ± 53.0 °C
Purity
95%+
Density
1.194 ± 0.06 g/ml
Appearance
Yellow to Amber powder to crystal
Storage
Store under inert gas
Complexity
720
Covalently-Bonded Unit Count
1
Exact Mass
540.256549g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
42
MDL Number
MFCD12022466
Monoisotopic Mass
540.256549g/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
6
Signal Word
Warning
XLogP3
11.6
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