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Safety Information

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:
4289491
MDL number:
MFCD00134589
UNSPSC Code:
12352103
PubChem Substance ID:
57649780
NACRES:
NA.23

composition

Dye content, 95%

Quality Level

100

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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

383805-VAR:
383805-1G:
383805-BULK:
383805-250MG:

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Certificates of Analysis (COA)

Lot/Batch Number
09728KN
09224DS
07530LZ
07230JY
17112CB

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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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