423157

2,9,16,23-Tetra-tert-butyl-29H,31H-phthalocyanine

Dye content 97 %

• Synonym(s): 2,9,16,23-Tetrakis(1,1-dimethylethyl)-29H ,31H -phthalocyanine, 2,9,16,23-Tetrakis(tert -butyl)phthalocyanine, Tetra-4-tert -butylphthalocyanine
• Empirical Formula (Hill Notation): C₄₈H₅₀N₈
• CAS Number: 35984-93-1
• Molecular Weight: 738.96
• MDL number: MFCD00239503
• UNSPSC Code: 12352103
• PubChem Substance ID: 24866478
• NACRES: NA.23

Properties

• form: solid
• composition: Dye content, 97%
• mp: >300 °C (lit.)
• λmax: 695 nm
• SMILES string: CC(C)(C)c1ccc2c3nc(nc4[nH]c(nc5nc(nc6[nH]c(n3)c7cc(ccc67)C(C)(C)C)c8cc(ccc58)C(C)(C)C)c9cc(ccc49)C(C)(C)C)c2c1
• InChI: 1S/C48H50N8/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,(H2,49,50,51,52,53,54,55,56)
• InChI key: NNQWYGKROBKYQC-UHFFFAOYSA-N

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable