HuagongsheHuagongshe Chemistry Print Report · For research reference only
Carbamic chloride
carbamic chloride · carbamoyl chloride · carbamyl chloride · Urea chloride · chloroformamide · N-Carbamic chloride · Carbaminoyl chloride · Carbamic chloride (9CI)
Identifiers & Physical Properties
| CAS No. | 463-72-9 |
|---|---|
| Molecular formula | CH2ClNO |
| Average molar mass | 79.48 g/mol |
| Monoisotopic mass | 78.98249136 g/mol |
| SMILES | NC(=O)Cl |
| InChIKey | CKDWPUIZGOQOOM-UHFFFAOYSA-N |
| PubChem CID | 68048 |
| ChEBI | CHEBI:192410 |
| EC No. | 207-342-1 |
| DTXSID | DTXSID40963544 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 43.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 4 |
| Formal charge | 0 |
| Complexity | 35 |
| Melting point | 90℃ |
| Boiling point | bp 61-62° (decompn) |
| Density | 1.3273 (rough estimate) |
| Refractive index | 1.4480 (estimate) |
| pKa (acidity coefficient) | 11.60±0.50(Predicted) |
| FDA UNII | A3M01P14SM |
Applications & Uses
Uses
Carbamoyl chloride can be used as an intermediate for carbamate pesticides.
Uses
Carbamoyl chlorides are intermediates with many uses. Of primary industrial importance are the reactions with alcohols, phenols, and oximes to give carbamic acid esters; with thiols (mercaptans) to give thiocarbamates; with amines and hydroxylamines to give substituted ureas; and with imidazoles and triazoles to give carbamoyl azoles.