CNCl

Cyanogen chloride · Chlorocyanogen

Cyanogen chloride is a reactive, metastable chemical intermediate widely employed in the industrial synthesis of agricultural and industrial products.

CClN
Crystal structure of CNCl
Ground-state structure · Materials Project
Overview

About Cyanogen chloride

Cyanogen chloride is a volatile, insulating molecular compound characterized by its metastable nature. It serves as a vital building block in organic synthesis, particularly in the production of various herbicides and optical brighteners.

Due to its unique chemical reactivity, it is highly valued in industrial processes where precise molecular functionalization is required. Its wide-gap electronic structure reflects its role as a stable, yet reactive, intermediate in complex chemical pathways.

At a glance

Key Properties

Cross-validated computational properties for Cyanogen chloride, aggregated across 4 databases.

Band Gap

3.79–5.84 eV
Range across DFT structures

Energy Above Hull

0.089 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

16
4 databases, 9 space groups
Uses

Applications

Where Cyanogen chloride is used.

Synthesis of herbicidesProduction of optical brightenersChemical manufacturing intermediate
Reference

Frequently Asked Questions

Common questions about Cyanogen chloride, answered from cross-validated data.

What is CNCl?

Cyanogen chloride is a reactive, metastable chemical intermediate widely employed in the industrial synthesis of agricultural and industrial products.

More questions
What is CNCl used for?
Cyanogen chloride (CNCl) is used in synthesis of herbicides, production of optical brighteners, and chemical manufacturing intermediate.
What is the band gap of CNCl?
Cyanogen chloride (CNCl) has a DFT-computed band gap of 3.79–5.84 eV across 16 reported structures.
Is CNCl a metal, semiconductor, or insulator?
With a wide band gap up to 5.84 eV it is an insulator / wide-band-gap material.
Is CNCl thermodynamically stable?
Cyanogen chloride (CNCl) has a lowest energy above hull of 0.089 eV/atom (metastable).
How many polymorphs of CNCl are known?
16 structures of CNCl are reported across 4 databases, spanning 9 distinct space groups.
What elements does CNCl contain?
Cyanogen chloride (CNCl) contains C, Cl, and N (3 elements).
Where does the data for CNCl come from?
CNCl data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized molecular compound, Cyanogen chloride functions as a distinct chemical agent within its class, serving as a versatile precursor for nitrogen-containing organic derivatives.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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