545325
Tetrachloroterephthalonitrile
95%
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About This Item
Linear Formula:
Cl4C6(CN)2
CAS Number:
Molecular Weight:
265.91
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
401-550-8
MDL number:
Assay:
95%
InChI key
TXRVDQMSXQKAPG-UHFFFAOYSA-N
InChI
1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
SMILES string
Clc1c(Cl)c(C#N)c(Cl)c(Cl)c1C#N
assay
95%
mp
308-312 °C (lit.)
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.
signalword
Warning
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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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)
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)
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