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641782

Sigma-Aldrich

Pentaphene-78

Synonym(s):

16,17-Bis(octyloxy)-anthra[9,1,2-cde]benzo[rst]pentaphene-5,1-dione, 5-10-Dioxo-17-(stearoyloxy)-5,5a,6,10-tetrahydroanthra[9,1,2-cde]benzo[rst]pentaphen-16-yl stearate, Violanthrone-78

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About This Item

Empirical Formula (Hill Notation):
C70H84O6
CAS Number:
82145-74-2
Molecular Weight:
1021.41
MDL number:
MFCD23097194
UNSPSC Code:
12352103
PubChem Substance ID:
24883142

mp

287.2 °C (dec.) (lit.)

λmax

≤577 nm in toluene

SMILES string

CCCCCCCCCCCCCCCCCC(=O)Oc1cc2-c3ccccc3C(=O)c4ccc5c6ccc7C(=O)c8ccccc8-c9cc(OC(=O)CCCCCCCCCCCCCCCCC)c(c1c5c24)c6c79

InChI

1S/C70H84O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41-61(71)75-59-47-57-49-37-33-35-39-53(49)69(73)55-45-43-51-52-44-46-56-64-58(50-38-34-36-40-54(50)70(56)74)48-60(68(66(52)64)67(59)65(51)63(55)57)76-62(72)42-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-40,43-48H,3-32,41-42H2,1-2H3

InChI key

CMDCDHZHIBRIKE-UHFFFAOYSA-N

Application

An n-channel organic semiconductor.[1]

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)

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Certificates of Analysis (COA)

Lot/Batch Number
06012AE
10219CC

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Newman, C.R., et al.
Chemistry of Materials, 16, 4436-4436 (2004)

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