IUPAC Name: | (2-ethoxy-2-oxoethyl)-triphenylphosphanium;bromide |
Description: | (Ethoxycarbonylmethyl)triphenylphosphonium Bromide (CAS# 1530-45-6) 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. |
Molecular Weight: | 429.29 |
Molecular Formula: | C22H22BrO2P |
Canonical SMILES: | CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
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;/p-1 |
InChI Key: | VJVZPTPOYCJFNI-UHFFFAOYSA-M |
MDL: | MFCD00011835 |
LogP: | 0.54760 |
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Related Functional Groups
Carbonyl Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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