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430994

Sigma-Aldrich

Zinc 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine

Dye content ~96 %

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About This Item

Empirical Formula (Hill Notation):
C48H48N8Zn
CAS Number:
39001-65-5
Molecular Weight:
802.34
MDL number:
MFCD00209626
UNSPSC Code:
12352103
PubChem Substance ID:
24866957
NACRES:
NA.23

composition

Dye content, ~96%

mp

>300 °C (lit.)

λmax

677 nm

SMILES string

CC(C)(C)c1ccc2c3nc(nc4n5[Zn]n6c(nc7nc(nc5c8cc(ccc48)C(C)(C)C)c9ccc(cc79)C(C)(C)C)c%10ccc(cc%10c6n3)C(C)(C)C)c2c1

InChI

1S/C48H48N8.Zn/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;/h13-24H,1-12H3;/q-2;+2

InChI key

XWOSAEWCOSVNDP-UHFFFAOYSA-N

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKBW7847V
MKBD7049
09327ME
01107AD
08523KG

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