171719
1,2-Dicyanobenzene
98%
Synonym(s):
Phthalonitrile
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About This Item
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Quality Level
Assay
98%
form
solid
mp
137-139 °C (lit.)
functional group
nitrile
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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
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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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