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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.)

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

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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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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