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383813

Sigma-Aldrich

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

Synonym(s):

1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine zinc salt

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About This Item

Empirical Formula (Hill Notation):
C64H80N8O8Zn
CAS Number:
107227-89-4
Molecular Weight:
1154.76
MDL number:
MFCD00192579
UNSPSC Code:
12352103
PubChem Substance ID:
24863640
NACRES:
NA.23

mp

185 °C (dec.) (lit.)

λmax

736 nm

SMILES string

CCCCOc1ccc(OCCCC)c2c3nc(nc4n5[Zn]n6c(n3)c7c(OCCCC)ccc(OCCCC)c7c6nc8nc(nc5c9c(OCCCC)ccc(OCCCC)c49)c%10c(OCCCC)ccc(OCCCC)c8%10)c12

InChI

1S/C64H80N8O8.Zn/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;/q-2;+2

InChI key

DKGNTSAYUCTYJI-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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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29H,31H-Phthalocyanine β-form, 98%

Sigma-Aldrich

253103

29H,31H-Phthalocyanine

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Sigma-Aldrich

402737

Magnesium phthalocyanine

C Fabris et al.
Journal of photochemistry and photobiology. B, Biology, 39(3), 279-284 (1997-07-01)
Zn(II)-octapentyl-phthalocyanine (ZnOPPc), incorporated into a Cremophor oil emulsion, was found to be a highly selective tumour-targeting agent (50-fold larger concentration in the tumour than in the peritumoral tissue) when injected at a dose of 1.46 mumol (kg body weight)-1 in
G Jori et al.
Journal of photochemistry and photobiology. B, Biology, 43(3), 181-185 (1998-08-27)
Zn(II)-phthalocyanines (ZnPc) and its octapentyl (ZnOPPc) and octadecyl (ZnODPc) derivatives have been intravenously injected at a dose of 1.46 mumol/kg into female Balb/c mice bearing an intramuscularly transplanted MS-2 fibrosarcoma. Pharmacokinetic studies show that in all cases the maximal concentration
C Ometto et al.
British journal of cancer, 74(12), 1891-1899 (1996-12-01)
1,4,8,11,15,18,22,25-Octadecylphthalocyaninato zinc(II), ZnODPc, incorporated into a Cremophor emulsion, was assayed for its pharmacokinetic and phototherapeutic properties in Balb/c mice bearing an intramuscularly transplanted MS-2 fibrosarcoma. The phthalocyanine was injected intravenously (i.v.) in three doses, i.e. 1.46, 0.73 and 0.37 mumol
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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