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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
Recommended Products
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.
Signal Word
Warning
Hazard Statements
Precautionary 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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Find documentation for the products that you have recently purchased in the Document Library.
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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