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383805

Sigma-Aldrich

1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phthalocyanine

Dye content 95 %

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About This Item

Empirical Formula (Hill Notation):
C64H82N8O8
CAS Number:
116453-73-7
Molecular Weight:
1091.38
Beilstein/REAXYS Number:
4289491
MDL number:
MFCD00134589
UNSPSC Code:
12352103
PubChem Substance ID:
57649780
NACRES:
NA.23

composition

Dye content, 95%

mp

221 °C (dec.) (lit.)

λmax

762 nm

SMILES string

CCCCOc1ccc(OCCCC)c2c3nc(nc4[nH]c(nc5nc(nc6[nH]c(n3)c7c(OCCCC)ccc(OCCCC)c67)c8c(OCCCC)ccc(OCCCC)c58)c9c(OCCCC)ccc(OCCCC)c49)c12

InChI

1S/C64H82N8O8/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57/h25-32H,9-24,33-40H2,1-8H3,(H2,65,66,67,68,69,70,71,72)

InChI key

KAPOSTKECKHKAP-UHFFFAOYSA-N

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)

Certificates of Analysis (COA)

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W E Ford et al.
Photochemistry and photobiology, 50(3), 277-282 (1989-09-01)
Triplet-state properties of 1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine and its zinc derivative were determined for the first time. The T1 state of the metal-free phthalocyanine was characterized by a short lifetime (tau T = 17 microseconds) and low quantum yield (phi T = 0.095)

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