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3-Iodo-2-propynyl N-Butylcarbamate-[d9]

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3-Iodo-2-propynyl N-Butylcarbamate-[d9]

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General Information
Catalog: BLP-002763
CAS: 1246815-08-6
Molecular Formula: C8H3D9INO2
Molecular Weight: 290.15

Chemical Structure

Description	3-Iodo-2-propynyl N-Butylcarbamate-[d9] is the labelled analogue of Iodopropynyl butylcarbamate. Iodopropynyl butylcarbamate (IPBC) is a water-soluble preservative and fungicide that is used worldwide in paints, coatings, wood preservatives, personal care and cosmetics.
Synonyms	3-Iodo-2-propynyl N-Butylcarbamate-d9; N-(Butylcarbamic Acid-d9) 3-Iodo-2-propyn-1-yl Ester; 3-Iodopropargyl n-(Butylcarbamate-d9); Acticide IPW 50-d9; Biodocarb-d9; Coatcide 123-d9; Dekaben LMB-d9; Ecobois-d9
IUPAC Name	3-iodoprop-2-ynyl N-deuterio-N-(1,1,2,2,3,3,4,4-octadeuteriobutyl)carbamate
Related CAS	55406-53-6 (unlabelled)
Canonical SMILES	CCCCNC(=O)OCC#CI
InChI	InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)/i1D2,2D2,3D2,6D2/hD
InChI Key	WYVVKGNFXHOCQV-UJGQRPILSA-N
Melting Point	65-67 °C
Purity	98%; ≥ 99% atom D
Solubility	Slightly soluble in DMSO, Methanol
Appearance	Off-white Solid
Storage	-20 °C