Captan-d6

CAS: 1330190-00-5

Ref. TR-C175727

Product Information

• Name: Captan-d6
• Synonyms: Captan-4,4,5,6,7,7-D6

Description

Stability Toxic
Applications Isotopopically Labelled analogue of Captan (C175725), which is an acetylcholinesterase inhibitor acting as a fungicide (1), often added to pesticide mixtures to control diseases among fruits and vegetables. Detected through various analytical techniques involving pesticide residues such as MS-PD and GC-MS (2). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants. Also used in cannabis testing.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References 1. Afful, S. et al.: Res. J. App. Sci. Eng. Tech. (2010) 14 Jul:2(6) 592-52. Engelen, K. et al.: J. Proteome. Res. 2010 Oct 1;9(10):4919-263. Lagunas-Allue, L. et al.: Anal. Bioanal. Chem. 2010 Oct;398(3):1509-23

• Brand: TRC

Chemical properties

• Molecular weight: 306.63
• Formula: C₉H₆H₂Cl₃NO₂S
• Color/Form: White To Light Yellow
• InChI: InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2/i1D,2D,3D2,4D2
• InChI key: InChIKey=LDVVMCZRFWMZSG-TZCZJOIZSA-N
• SMILES: [2H]C1=C([2H])C([2H])([2H])C2C(=O)N(SC(Cl)(Cl)Cl)C(=O)C2C1([2H])[2H]