412074

5,9,14,18,23,27,32,36-Octabutoxy-2,3-naphthalocyanine

Dye content 95 %

• Synonym(s): 5,9,14,18,23,27,32,36-Octabutoxynaphthalocyanine
• Empirical Formula (Hill Notation): C₈₀H₉₀N₈O₈
• CAS Number: 105528-25-4
• Molecular Weight: 1291.62
• Beilstein/REAXYS Number: 4949121
• MDL number: MFCD00192363
• UNSPSC Code: 12352103
• PubChem Substance ID: 57650040
• NACRES: NA.23

Properties

• composition: Dye content, 95%
• λmax: 867 nm
• SMILES string: CCCCOc1c2ccccc2c(OCCCC)c3c4nc(nc5[nH]c(nc6nc(nc7[nH]c(n4)c8c(OCCCC)c9ccccc9c(OCCCC)c78)c%10c(OCCCC)c%11ccccc%11c(OCCCC)c6%10)c%12c(OCCCC)c%13ccccc%13c(OCCCC)c5%12)c13
• InChI: 1S/C80H90N8O8/c1-9-17-41-89-65-49-33-25-26-34-50(49)66(90-42-18-10-2)58-57(65)73-81-74(58)86-76-61-62(70(94-46-22-14-6)54-38-30-29-37-53(54)69(61)93-45-21-13-5)78(83-76)88-80-64-63(71(95-47-23-15-7)55-39-31-32-40-56(55)72(64)96-48-24-16-8)79(84-80)87-77-60-59(75(82-77)85-73)67(91-43-19-11-3)51-35-27-28-36-52(51)68(60)92-44-20-12-4/h25-40H,9-24,41-48H2,1-8H3,(H2,81,82,83,84,85,86,87,88)
• InChI key: BFXKASLQHBYWIJ-UHFFFAOYSA-N

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)