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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:
Molecular Weight:
128.13
Beilstein:
1072209
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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The Biochemical journal, 474(11), 1867-1877 (2017-04-07)
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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
A SIMPLE LARGE SCALE SYNTHESIS OF 1, 3-BIS-(4, 4-DIMETHYL-2-OXAZOLINYL) BENZENE 1*.
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Synthetic Communications, 32(3), 363-368 (2002)
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