432962

Vanadyl 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine

Dye content 95 %

• Empirical Formula (Hill Notation): C₆₄H₅₆N₈OV
• CAS Number: 105011-00-5
• Molecular Weight: 1004.12
• MDL number: MFCD00216604
• UNSPSC Code: 12352103
• PubChem Substance ID: 24867110
• NACRES: NA.23

Properties

• form: solid
• composition: Dye content, 95%
• mp: >300 °C (lit.)
• λmax: 808 nm
• SMILES string: CC(C)(C)c1ccc2cc3c4nc(nc5n6[V](=O)n7c(nc8nc(nc6c9cc%10cc(ccc%10cc59)C(C)(C)C)c%11cc%12ccc(cc%12cc8%11)C(C)(C)C)c%13cc%14ccc(cc%14cc%13c7n4)C(C)(C)C)c3cc2c1
• InChI: 1S/C64H56N8.O.V/c1-61(2,3)41-17-13-33-25-45-49(29-37(33)21-41)57-65-53(45)70-58-51-31-39-23-43(63(7,8)9)19-15-35(39)27-47(51)55(67-58)72-60-52-32-40-24-44(64(10,11)12)20-16-36(40)28-48(52)56(68-60)71-59-50-30-38-22-42(62(4,5)6)18-14-34(38)26-46(50)54(66-59)69-57;;/h13-32H,1-12H3;;/q-2;;+2
• InChI key: KYDACBKVLZCERN-UHFFFAOYSA-N

Safety Information

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