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| IUPAC Name: | ethyl 2-chloro-2-diethoxyphosphorylacetate |
| Description: | Ethyl 2-Chloro-2-(diethoxyphosphoryl)acetate (CAS# 7071-12-7) is a reagent that is used in the synthesis of isotope labelled Mutagen X (MX), which 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: | 258.64 |
| Molecular Formula: | C8H16ClO5P |
| Canonical SMILES: | CCOC(=O)C(P(=O)(OCC)OCC)Cl |
| InChI: | InChI=1S/C8H16ClO5P/c1-4-12-8(10)7(9)15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3 |
| InChI Key: | PCDXCIMROXIFBI-UHFFFAOYSA-N |
| Boiling Point: | 93-95 °C (0.01 mmHg) |
| Density: | 1.21 g/cm3 |
| Appearance: | Colorless liquid |
| MDL: | MFCD00192516 |
| LogP: | 2.38050 |
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