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2,4,6-Tri([1,1'-biphenyl]-4-yl)-1,3,5-triazine

Catalog Number
ACM31274518-3
CAS Number
31274-51-8
Product Name
2,4,6-Tri([1,1'-biphenyl]-4-yl)-1,3,5-triazine
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
Tris-BiphenylTriazine
IUPAC Name
2,4,6-tris(4-phenylphenyl)-1,3,5-triazine
Molecular Weight
537.67
Molecular Formula
C39H27N3
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7
InChI
InChI=1S/C39H27N3/c1-4-10-28(11-5-1)31-16-22-34(23-17-31)37-40-38(35-24-18-32(19-25-35)29-12-6-2-7-13-29)42-39(41-37)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChI Key
CENPSTJGQOQKKW-UHFFFAOYSA-N
Boiling Point
283 °C
Melting Point
765.9 ± 70.0 °C
Purity
95%+
Density
1.166 ± 0.06 g/ml
Appearance
White to Light yellow powder to crystal
Storage
Store under inert gas
Complexity
655
Covalently-Bonded Unit Count
1
Exact Mass
537.220498g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
42
MDL Number
MFCD00152778
Monoisotopic Mass
537.220498g/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
UNII
FQK9A410YB
XLogP3
9.8
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