171719
1,2-Dicyanobenzene
98%
Synonym(s):
Phthalonitrile
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About This Item
Linear Formula:
C6H4(CN)2
CAS Number:
Molecular Weight:
128.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-044-8
Beilstein/REAXYS Number:
775028
MDL number:
Assay:
98%
Form:
solid
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
Application
1,2-Dicyanobenzene was used in the synthesis of a six-coordinate phthalocyanine analogue.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Chronic 3
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 1
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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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
Fabiola N Velazquez et al.
Scientific reports, 9(1), 3010-3010 (2019-03-01)
Glioblastoma multiforme is considered to be one of the most aggressive types of tumors of the central nervous system, with a poor prognosis and short survival periods of ~ one year. The current protocol for glioblastoma treatment includes the surgical
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