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412074

Sigma-Aldrich

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

Dye content 95 %

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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:
4949121
MDL number:
MFCD00192363
UNSPSC Code:
12352103
PubChem Substance ID:
57650040
NACRES:
NA.23

composition

Dye content, 95%

Quality Level

100

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

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Related Categories

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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