145858
1,3-Dicyanobenzene
98%
Synonym(s):
Isophthalodinitrile, Isophthalonitrile
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All Photos(2)
About This Item
Linear Formula:
C6H4(CN)2
CAS Number:
Molecular Weight:
128.13
Beilstein/REAXYS Number:
1072209
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
98%
form
liquid
mp
163-165 °C (lit.)
functional group
nitrile
SMILES string
N#Cc1cccc(c1)C#N
InChI
1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H
InChI key
LAQPNDIUHRHNCV-UHFFFAOYSA-N
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Application
1,3-Dicyanobenzene was used in the synthesis of oxazolines and 1,3-bis-(4,4-dimethyl-2-oxazolinyl)benzene.
signalword
Warning
hcodes
pcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk_germany
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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A class of modular oxazolines and their derivatives 1-5 were synthesized with moderate to excellent yields using a simple one-pot method; 4 x 3 bis-oxazolines were obtained, as expected, from each of the three reactions of 1,4-dicyanobenzene, 1,3-dicyanobenzene, and 1,2-dicyanobenzene
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