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4,4',4'',4'''-TETRA-TERT-BUTYLPHTHALOCYANINE COPPER
Catalog Number
39001-64-4
CAS
39001-64-4
IUPAC Name
copper;6,15,24,33-tetratert-butyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene
Synonyms
(TETRA-T-BUTYLPHTHALOCYANINATO)COPPER(II); 4,4',4'',4'''-TETRA-TERT-BUTYLPHTHALOCYANINE COPPER; COPPER(II) 2,9,16,23-TETRA-TERT-BUTYL-29H,31H-PHTHALOCYANINE; COPPER 2,9,16,23-TETRA-TERT-BUTYLPHTHALOCYANINE; copper(ii) 2,9,16,23-tetra-tert-butyl-29H,31H-pht; T
Molecular Weight
800.49
Molecular Formula
C48H48CuN8
Product Information
Purity
>97.0%(T)
MDL
MFCD00059117
Physical State
Solid
Appearance
Dark red to Dark purple to Dark blue powder to crystal
Storage
Store under inert gas
Melting Point
480 °C
Refractive Index
1.48
Safety Information
Signal Word
Danger
Precautionary Statement
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
Hazard Statements
H413 : May cause long lasting harmful effects to aquatic life.
Canonical SMILES
CC(C)(C)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(C)(C)C)C(=N7)N=C2[N-]3)C(C)(C)C)C9=C4C=C(C=C9)C(C)(C)C.[Cu+2]
InChI
InChI=1S/C48H48N8.Cu/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;/h13-24H,1-12H3;/q-2;+2
InChI Key
IDACJLJAKMQWEW-UHFFFAOYSA-N
