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459607

Sigma-Aldrich

4,5-Dioctyloxy-1,2-benzenedicarbonitrile

97%

Synonym(s):

4,5-Dioctyloxyphthalonitrile

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About This Item

Linear Formula:
[CH3(CH2)7O]2C6H2(CN)2
CAS Number:
118132-11-9
Molecular Weight:
384.55
MDL number:
MFCD00274338
UNSPSC Code:
12352100
PubChem Substance ID:
24869579
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

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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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)
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.

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