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171719

Sigma-Aldrich

1,2-Dicyanobenzene

98%

Synonym(s):

Phthalonitrile

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About This Item

Linear Formula:
C6H4(CN)2
CAS Number:
91-15-6
Molecular Weight:
128.13
Beilstein:
775028
EC Number:
202-044-8
MDL number:
MFCD00001771
UNSPSC Code:
12352100
PubChem Substance ID:
24850384
NACRES:
NA.22

Assay

98%

form

solid

mp

137-139 °C (lit.)

SMILES string

N#Cc1ccccc1C#N

InChI

1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H

InChI key

XQZYPMVTSDWCCE-UHFFFAOYSA-N

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Application

1,2-Dicyanobenzene was used in the synthesis of a six-coordinate phthalocyanine analogue.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301,H412

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Chronic 3

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 1

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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4-Methylphthalonitrile 99%

Sigma-Aldrich

521795

4-Methylphthalonitrile

Takamitsu Fukuda et al.
Dalton transactions (Cambridge, England : 2003), 42(47), 16486-16489 (2013-10-18)
A reaction of 1,2-dicyanobenzene and lithium methoxide at 70 °C in methanol yielded the half-phthalocyanine intermediate, which coordinates to a cadmium(II) ion in the subsequent reaction step to give the first example of a six-coordinate phthalocyanine analogue containing a divalent
Nathan J Yutronkie et al.
Materials (Basel, Switzerland), 12(8) (2019-04-27)
Efficient synthesis of silicon phthalocyanines (SiPc) eliminating the strenuous reaction conditions and hazardous reagents required by classical methods is described. Implementation into organic thin-film transistors (OTFTs) affords average electron field-effect mobility of 3.1 × 10-3 cm2 V-1 s-1 and threshold
An estimation of the sublimation rate of o-phthalodinitrile and acrylamide during filter sampling.
S Kanno
Industrial health, 23(2), 167-170 (1985-01-01)
Xingshu Li et al.
Theranostics, 9(22), 6412-6423 (2019-10-08)
Targeted delivery of therapeutic agents is of particular interest in the field of cancer treatment. However, there is an urgent need for developing clinically promising targeting approaches that can be readily administered in a green manner. Methods: Five phthalocyanine derivatives
A P Kumar et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 53A(12), 2033-2039 (1998-01-23)
A zero-order normal coordinate analysis was made for p-, m- and o-dicyanobenzenes and their deuterated isomers by transferring the force constants from Part I. The observed and calculated frequencies agree with an average error of 18.7 cm-1, demonstrating the transferability
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