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545325

Sigma-Aldrich

Tetrachloroterephthalonitrile

95%

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About This Item

Linear Formula:
Cl4C6(CN)2
CAS Number:
Molecular Weight:
265.91
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

95%

mp

308-312 °C (lit.)

SMILES string

Clc1c(Cl)c(C#N)c(Cl)c(Cl)c1C#N

InChI

1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11

InChI key

TXRVDQMSXQKAPG-UHFFFAOYSA-N

General description

Tetrachloroterephthalonitrile (TCTPN), a dinitrile derivative, is an isomer of chloranil. The halogen bond of TCTPN has been studied using 35Cl solid-state NMR.

Application

Tetrachloroterephthalonitrile may be used to synthesize 2-aminotrifluoroterephthalonitriles.

Pictograms

Exclamation markEnvironment

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Synthesis and antiinflammatory evaluation of substituted isophthalonitriles and trimesonitriles, benzonitriles, and terephthalonitriles.
Heilman WP, et al.
Journal of Medicinal Chemistry, 21(9), 906-913 (1978)
35Cl Solid-State NMR and Computational Study of Chlorine Halogen Bond Donors in Single-Component Crystalline Chloronitriles.
Szell PMJ and Bryce DL.
The Journal of Physical Chemistry C (2016)

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