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| | (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Basic information |
| | (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Chemical Properties |
| Melting point | 152-154 °C(lit.) | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid | | color | White | | 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/i18+1,22+1; | | InChIKey | VJVZPTPOYCJFNI-WWPGYFPTSA-M | | SMILES | [Br-].CCO[13C](=O)[13CH2][P+](c1ccccc1)(c2ccccc2)c3ccccc3 |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| | (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Usage And Synthesis |
| Uses | (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. | | reaction suitability | reaction type: C-C Bond Formation reaction type: Whiting Reaction |
| | (Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide Preparation Products And Raw materials |
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