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4-(1-Naphthyl)-3,5-diphenyl-1,2,4-triazole

Catalog Number
ACM16152106-2
Product Name
4-(1-Naphthyl)-3,5-diphenyl-1,2,4-triazole
Structure
CAS
16152-10-6
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
Molecular Weight
347.42
Molecular Formula
C24H17N3
Canonical SMILES
C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C24H17N3/c1-3-11-19(12-4-1)23-25-26-24(20-13-5-2-6-14-20)27(23)22-17-9-15-18-10-7-8-16-21(18)22/h1-17H
InChI Key
AOQKGYRILLEVJV-UHFFFAOYSA-N
Melting Point
245 °C
Purity
>98.0%(GC)
Appearance
White to Light yellow powder to crystal
Complexity
442
Covalently-Bonded Unit Count
1
Exact Mass
347.142248g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.H413 : May cause long lasting harmful effects to aquatic life.
Heavy Atom Count
27
MDL Number
MFCD09832971
Monoisotopic Mass
347.142248g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.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
3
Signal Word
Warning
XLogP3
5.7
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