146645-42-3

Basic information

• Product Name: 2-13C-1-(2-Chlorphenyl)-2-propanon
• CAS NO: 146645-42-3
• Molecular Weight: 169.612
• Mol File: 146645-42-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-13C-1-(2-Chlorphenyl)-2-propanon(CAS DataBase Reference)
• NIST Chemistry Reference: 2-13C-1-(2-Chlorphenyl)-2-propanon(146645-42-3)
• EPA Substance Registry System: 2-13C-1-(2-Chlorphenyl)-2-propanon(146645-42-3)

Safety Data

• Hazardous Substances Data: 146645-42-3(Hazardous Substances Data)

Upstream product

• 1520-57-6 [1-13C]acetyl chloride 
• 611-19-8 1-chloro-2-(chloromethyl)benzene 

Relevant articles and documents

Mass spectrometric investigations on phenylacetic acid derivatives, IV: Loss of ortho-substituents from ionized phenyl-2-propanones upon electron impact

In the gas phase, the phenyl-2-propanone molecules 2a-4a lose upon electron impact chloro-, bromo-, and iodo-radicals specifically at the orthopOsition of the phenyl group giving rise to strong (M-Hal.)+-ions (70/12 eV; 1st and 2nd FFR) of identical structure as confirmed by their MIKE-CAD-spectra. The daughter ions at m/z 133 from o-chlorophenyl-2-propanone (2a) and 2,2-dimethyl-2,3-dihydro[b]furane (11) are structurally similar but not identical (similarity index 99.8). The collisionally activated (2nd FFR) (M-Br.)+-ions from o-bromophenyl-2-propanone (3a) and 1-bromo-1-phenyl-2-propanone (12) produce virtually congruent spectra. The most impOrtant subsequent fragmentation of the (M-Hal-)+-ions from 2a-4a is the loss of CO which incorporates the C-atom of the carbonyl group exclusively (13C labelling). Mechanistic aspects of the fragmentation sequences are discussed (Figs. 5 and 8).