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753920

Sigma-Aldrich

SMDPPO

Synonym(s):

2,5-Dioctyl-3,6-bis-(5′′-n-hexyl-[2,2′,5′,2′′]terthiophen-5-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione

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About This Item

Empirical Formula (Hill Notation):
C58H72N2O2S6
CAS Number:
1435933-95-1
Molecular Weight:
1021.59
MDL number:
MFCD20036284
UNSPSC Code:
12352103
PubChem Substance ID:
329766393

form

solid

loss

0.5 wt. %, 307 °C

mp

242-247 °C

λmax

644 nm in methylene chloride

SMILES string

CCCCCCCCN1C(=O)C2=C(N(CCCCCCCC)C(=O)C2=C1c3ccc(s3)-c4ccc(s4)-c5ccc(CCCCCC)s5)c6ccc(s6)-c7ccc(s7)-c8ccc(CCCCCC)s8

InChI

1S/C58H72N2O2S6/c1-5-9-13-17-19-23-39-59-55(51-37-35-49(67-51)47-33-31-45(65-47)43-29-27-41(63-43)25-21-15-11-7-3)53-54(57(59)61)56(60(58(53)62)40-24-20-18-14-10-6-2)52-38-36-50(68-52)48-34-32-46(66-48)44-30-28-42(64-44)26-22-16-12-8-4/h27-38H,5-26,39-40H2,1-4H3

InChI key

CAOPCPKFKCIXFB-UHFFFAOYSA-N

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Storage Class Code

11 - 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
MKBK7964
MKBK7963

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