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- W4249556908 abstract "[4314-19-6] C13H8N6S (MW 280.31) InChI = 1S/C13H8N6S/c20-13(18-11-7-3-1-5-9(11)14-16-18)19-12-8-4-2-6-10(12)15-17-19/h1-8H InChIKey = ZRXHYHZENMJKMG-UHFFFAOYSA-N (thiocarbonyl transfer reagent for thiocarbamoylation of amines, phenols and thiols, dienophile for hetero-Diels–Alder reactions, one-carbon synthon for synthesis of guanidines, benzotriazolyl group donor) Physical Data: yellow needles; mp 176–178 °C,1, 2 170–171 °C;3 dipole moment 7.8 D.4 Solubility: sol dioxane, CH2Cl2, CHCl3, hot acetone; insol benzene, THF, CCl4. Form Supplied in: Aldrich (yellow solid, 97% purity). Analysis of Reagent Purity: 1H (δ, CDCl3): 7.56–7.61 (m, 2H), 7.70–7.75 (m, 2H), 8.20 (d, J = 8.3 Hz, 2H), 8.25 (d, J = 8.4 Hz, 2H); 13C NMR (δ, CDCl3): 113.9, 121.0, 126.9, 130.6, 133.0, 146.8, 169.6. Preparative Methods: reaction of sodium salt of 1,2,3-benzotriazole1, 2 or 1-trimethylsilyl-1,2,3-benzotriazole3 with thiophosgene. The latter approach is preferred due to the higher yield and purity of the product. Purification: recrystallization from aqueous EtOH. Handling, Storage and Precautions: foul odor, can be stored for months in refrigerator, on storage at rt for a prolonged period slowly decomposes with color changing from yellow to green and then to brown, stable towards hydrolysis and methanolysis.5 Alternative Names: 1,1′-thiocarbonyldibenzotriazole, bis(benzotriazolyl)methanethione." @default.
- W4249556908 created "2022-05-12" @default.
- W4249556908 creator A5083853394 @default.
- W4249556908 date "2007-03-15" @default.
- W4249556908 modified "2023-09-27" @default.
- W4249556908 title "1,1′-Thiocarbonylbis(1H-benzotriazole)" @default.
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- W4249556908 doi "https://doi.org/10.1002/047084289x.rn00705" @default.
- W4249556908 hasPublicationYear "2007" @default.
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