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145858

Sigma-Aldrich

1,3-Dicyanobenzene

98%

Synonym(s):

Isophthalodinitrile, Isophthalonitrile

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About This Item

Linear Formula:
C6H4(CN)2
CAS Number:
626-17-5
Molecular Weight:
128.13
Beilstein/REAXYS Number:
1072209
EC Number:
210-933-7
MDL number:
MFCD00001795
UNSPSC Code:
12352100
PubChem Substance ID:
24848750
NACRES:
NA.22

assay

98%

form

liquid

mp

163-165 °C (lit.)

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

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

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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Luo Mei et al.
Journal of combinatorial chemistry, 11(2), 220-227 (2009-01-14)
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
Glenn R Masson et al.
The Biochemical journal, 474(11), 1867-1877 (2017-04-07)
Until recently, one of the major limitations of hydrogen/deuterium exchange mass spectrometry (HDX-MS) was the peptide-level resolution afforded by proteolytic digestion. This limitation can be selectively overcome through the use of electron-transfer dissociation to fragment peptides in a manner that
A SIMPLE LARGE SCALE SYNTHESIS OF 1, 3-BIS-(4, 4-DIMETHYL-2-OXAZOLINYL) BENZENE 1*.
Button KM, et al.
Synthetic Communications, 32(3), 363-368 (2002)
Marcin Konowalczyk et al.
Physical chemistry chemical physics : PCCP, 23(2), 1273-1284 (2020-12-24)
Modulated magnetically altered reaction yield (ModMARY) spectroscopy is a derivative variant of fluorescence detected magnetic field effect measurement, where the applied magnetic field has both a constant and a modulated component. As in many derivative spectroscopy techniques, the signal to

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