2-Chloroethyl (2,6-Dimethylphenyl)-carbamic Acid Ester-d6

CAS: 100129-63-3

Ref. TR-C984862

Product Information

• Name: 2-Chloroethyl (2,6-Dimethylphenyl)-carbamic Acid Ester-d6
• Synonyms: 2-Chloroethyl 2,6-Dimethyl-carbanilic Ester-d6
• Brand: TRC

Description

Applications 2-Chloroethyl (2,6-Dimethylphenyl)-carbamic Acid Ester-d6 is an intermediate used in the synthesis of Dimethachlor Ethane Sulfonic Acid Sodium Salt-d6 (D460284), which is the deuterium labelled form of Dimethachlor Ethane Sulfonic Acid Sodium Salt (D460283), which is a pesticide metabolite and pollutant found in groundwater, surface water, and wastewater.
References Huntscha, S., et al.: J. Chromatogr. A, 1268, 74 (2012); Reemtsma, T., et al.: J. Chromatogr. A, 1271, 95 (2013);

Chemical properties

• Molecular weight: 233.724
• Formula: C₁₁D₆H₈ClNO₂
• Color/Form: Neat
• InChI: InChI=1S/C11H14ClNO2/c1-8-4-3-5-9(2)10(8)13-11(14)15-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14)/i1D3,2D3
• InChI key: InChIKey=NBUREZWYEVYFIH-WFGJKAKNSA-N
• SMILES: [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1NC(=O)OCCCl