462209

2,3,9,10,16,17,23,24-Octakis(octyloxy)-29H,31H-phthalocyanine

• Empirical Formula (Hill Notation): C₉₆H₁₄₆N₈O₈
• CAS Number: 119457-81-7
• Molecular Weight: 1540.24
• MDL number: MFCD00674069
• UNSPSC Code: 12352103
• PubChem Substance ID: 57650744
• NACRES: NA.23

Properties

• form: solid
• mp: >300 °C (lit.)
• λmax: 701 nm
• SMILES string: CCCCCCCCOc1cc2c3nc(nc4[nH]c(nc5nc(nc6[nH]c(n3)c7cc(OCCCCCCCC)c(OCCCCCCCC)cc67)c8cc(OCCCCCCCC)c(OCCCCCCCC)cc58)c9cc(OCCCCCCCC)c(OCCCCCCCC)cc49)c2cc1OCCCCCCCC
• InChI: 1S/C96H146N8O8/c1-9-17-25-33-41-49-57-105-81-65-73-74(66-82(81)106-58-50-42-34-26-18-10-2)90-97-89(73)101-91-75-67-83(107-59-51-43-35-27-19-11-3)84(108-60-52-44-36-28-20-12-4)68-76(75)93(98-91)103-95-79-71-87(111-63-55-47-39-31-23-15-7)88(112-64-56-48-40-32-24-16-8)72-80(79)96(100-95)104-94-78-70-86(110-62-54-46-38-30-22-14-6)85(69-77(78)92(99-94)102-90)109-61-53-45-37-29-21-13-5/h65-72H,9-64H2,1-8H3,(H2,97,98,99,100,101,102,103,104)
• InChI key: URYRXSHEJQXAAO-UHFFFAOYSA-N

Safety Information

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