459607

Sigma-Aldrich

4,5-Dioctyloxy-1,2-benzenedicarbonitrile

97%

Synonym(s):
4,5-Dioctyloxyphthalonitrile
Linear Formula:
[CH3(CH2)7O]2C6H2(CN)2
CAS Number:
Molecular Weight:
384.55
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

mp

106-108 °C (lit.)

SMILES string

CCCCCCCCOc1cc(C#N)c(cc1OCCCCCCCC)C#N

InChI

1S/C24H36N2O2/c1-3-5-7-9-11-13-15-27-23-17-21(19-25)22(20-26)18-24(23)28-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3

InChI key

SSVVHLRGCJLWCP-UHFFFAOYSA-N

Related Categories

Application

4,5-Dioctyloxy-1,2-benzenedicarbonitrile (4,5-Dioctyloxyphthalonitrile) may be used for the preparation of new unsymmetrically substituted DB24C8-phthalocyanines. It may be used for the synthesis of tetrathiafluvalene (TTF)-annulated symmetrical and unsymmetrical phthalocyanines.

Packaging

1 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

hazcat

Acute Tox. 4 Oral

storage_class_code

11 - Combustible Solids

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Martinez-Diaz et al.
Organic letters, 2(8), 1057-1060 (2000-05-11)
[formula: see text] New unsymmetrically substituted DB24C8-phthalocyanines, which are able to form complexes with suitable dialkylammonium cations, have been prepared. These complexes most probably have a pseudorotaxane geometry.
Preparation and Optical and Electrochemical Properties of Phthalocyanines with the Ttf Unit.
Kimura T, et al.
Phosph. Sulfur Relat. Elem., 188(4), 408-412 (2013)

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