2602-42-8

Basic information

• Product Name: chlorocarbonyl
• CAS NO: 2602-42-8
• Molecular Formula: CClO
• Molecular Weight: 63.4631
• Mol File: 2602-42-8.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: chlorocarbonyl(CAS DataBase Reference)
• NIST Chemistry Reference: chlorocarbonyl(2602-42-8)
• EPA Substance Registry System: chlorocarbonyl(2602-42-8)

Safety Data

• Hazardous Substances Data: 2602-42-8(Hazardous Substances Data)

Upstream product

• 88099-83-6 1,1,1-trifluoro-2-chloroethylperoxyl radical 
• 463-58-1 carbon oxide sulfide 
• 7782-50-5 chlorine 
• 75-44-5 phosgene 
• 201230-82-2 carbon monoxide 
• 83864-14-6 nickel dichloride 

Downstream Products

• 124-38-9 carbon dioxide 
• 14700-96-0 clorine 
• 10102-43-9 nitrogen(II) oxide 
• 75-44-5 phosgene 
• 201230-82-2 carbon monoxide 
• 7782-50-5 chlorine 

Relevant articles and documents

Photochemical reaction channels of OCS with Cl2, ICI, or IBr isolated together in an argon matrix: Isolation of syn-iodocarbonylsulfenyl bromide

The photolytically induced reactions of a dihalogen XY (= Cl2, ICl, or IBr) with OCS isolated together in an Ar matrix at about 15 K lead to different photoproducts depending on the natures of X and Y. In addition to the known species ClCO, OCCl2, syn-ClC(O)SCl, syn-ClC(O)SSCl, IC(O)Cl, IC(O)Br, and ^n-BrC(O)SBr, syn-iodocarbonylsulfenyl bromide, yyn-IC(O)SBr, has thus been identified for the first time as'a photoproduct of the reactions involving IBr. The first product to be formed in the reactions with Cl 2 or ICI is the C1CO radical which reacts subsequently with halogen or sulfur atoms or other matrix guests to give the corresponding carbonyl dihalide (OCCl2 and IC(O)Cl), syn-ClC(O)SCl or syn-ClC(O)SSCl. The analogous reaction with IBr affords syn-BrC(O)SBr, IC(O)Br, and syn-IC(O)SBr. The changes have been followed, the products characterized experimentally by IR measurements, and the spectra analyzed in the light of the results of appropriate theoretical calculations.

FTIR spectroscopic study of 1,1,1-trifluoro-2-chloroethyl and 1,1,1- trifluoro-2-chloroethylperoxyl radicals

A combination of matrix isolation and FTIR spectroscopy was applied to investigate 1,1,1-trifluoro-2-chloroethyl (1) and 1,1,1-trifluoro-2- chloroethylperoxyl (2) radicals. Radical 2 was obtained by vacuum pyrolysis of 1,1,1-trifluoro-2-bromo-2-chloroethane (3). Corresponding peroxyl radicals was generated by co-condensation of pyrolysis products and molecular oxygen in an argon matrix. To assign the experimental bands DFT calculations (B3LYP/6-311G**) were carried out. The fundamental bands of O-O and C-O stretching vibrations of peroxyl radical CF3CHClOO (1102.1, 972.7, cm-1) were identified by their red shifts to 1044.7 and 954.1 cm-1 in the spectra of 18O substituted derivatives. UV photolysis of the radical 2 in the low- temperature matrix produced difluoroformaldehyde CF2O, radicals ClCO, CF3, as well as CO and HCl as the primary photoproducts.