2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole
Catalog Number
ACM15082287-2
CAS
15082-28-7
IUPAC Name
2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
Synonyms
2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (purified by sublimation)
PBD (purified by sublimation)
PBD (purified by sublimation)
Molecular Weight
354.45
Molecular Formula
C24H22N2O
Product Information
Canonical SMILES
CC(C)(C)c1ccc(cc1)-c2nnc(o2)-c3ccc(cc3)-c4ccccc4
Inchi
InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKey
XZCJVWCMJYNSQO-UHFFFAOYSA-N
Melting Point
138 °C
Purity
>99.0%(GC)
Solubility
soluble in Toluene
Appearance
White to Almost white powder to crystal
storage
Store under inert gas
Complexity
452
Condition To Avoid
Air Sensitive
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
27
MDL Number
MFCD00003101
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.
Reaxys Registry Number
1086414
Rotatable Bond Count
4
Signal Word
Warning
Monoisotopic Mass
354.173213g/mol
Exact Mass
354.173213g/mol
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