(Ethoxycarbonylmethyl)triphenylphosphonium-13C2 Bromide

CAS: 109376-35-4

Ref. TR-E891452

Product Information

• Name: (Ethoxycarbonylmethyl)triphenylphosphonium-13C2 Bromide
• Synonyms: (2-Ethoxy-2-oxoethyl)(triphenyl)phosphonium-13C2 Bromide, (Carbethoxymethyl)triphenylphosphonium-13C2 Bromide, Carboethoxymethyltriphenylphosphonium-13C2 Bromide, Ethoxycarbonylmethyltriphenylphosphonium-13C2 Bromide, NSC 60450-13C2
• Brand: TRC
• Description: Applications (Ethoxycarbonylmethyl)triphenylphosphonium-13C2 bromide is an intermediate in the synthesis of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone-13C5, which is an isotope labelled Mutagen X (MX) is a chlorinated furanone that accounts for more of the mutagenic activity of drinking water than any other disinfection byproduct. DNA damages provoked by the six mutagens (furylframide, MX, 4-nitroquinoline N-oxide, sodium azide, 1-nitropyrene, and captan) used in the present study have been known to subject to the nucleotide excision repair system.References Hakulinen, P., et al.: Toxicol. Lett., 151, 439 (2004), Richardson, S., et al.: Mutat. Res., 636, 178 (2007), Kim, J., et al.: Environ. Toxicol., 23, 319 (2008),

Chemical properties

• Molecular weight: 431.27
• Formula: C₂₀₁₃C₂H₂₂BrO₂P
• Color/Form: Neat
• InChI: InChI=1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/i18+1,22+1
• InChI key: InChIKey=VQBXUKGMJCPBMF-UHFFFAOYSA-N
• SMILES: Cc1oncc1C(=O)O