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3,3',5,5'-Tetra-tert-butyl-4,4'-diphenoquinone
Catalog Number
2455-14-3
CAS
2455-14-3
IUPAC Name
2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Synonyms
2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-1-cyclohexa-2,5-dienone; 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Molecular Weight
408.62
Molecular Formula
C28H40O2
Product Information
Purity
> 98.0 % (HPLC)
MDL
MFCD00051798
Physical State
Solid
Appearance
Red to dark blue to black powder to crystal
Storage
Store under inert gas
Boiling Point
492.6 °C at 760 mmHg
Melting Point
73 °C
Density
1.024 g/cm3
Solubility
Soluble in Tetrahydrofuran
Safety Information
Signal Word
Warning
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Hazard Statements
H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Canonical SMILES
CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3
InChI Key
GQIGHOCYKUBBOE-UHFFFAOYSA-N
