2,4-dichlorobenzene-1,3-dicarbonitrile


Chemical Name: 2,4-dichlorobenzene-1,3-dicarbonitrile
CAS Number: 19846-21-0
Product Number: AG002BJH(AGN-PC-0WA5P2)
Synonyms:
MDL No:
Molecular Formula: C8H2Cl2N2
Molecular Weight: 197.0209

Identification/Properties


Properties
BP:
326.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
197.018g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
195.96g/mol
Monoisotopic Mass:
195.96g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
259
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The application of 2,4-Dichloroisophthalonitrile in chemical synthesis lies in its role as a versatile building block. This compound serves as a key intermediate in the synthesis of various important organic compounds, particularly those used in the pharmaceutical and agrochemical industries. Through strategic manipulation of its chemical structure, 2,4-Dichloroisophthalonitrile can be derivatized to yield a range of derivatives with diverse properties and functionalities. Its ability to participate in a variety of chemical reactions makes it a valuable tool for chemists seeking to access structurally complex molecules efficiently. The compound's distinctive reactivity and selectivity enable the synthesis of novel compounds with potential applications in drug discovery, materials science, and other fields.