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2-[3-(Trifluoromethyl)benzylsulfonyl]thioacetamide Structure

2-[3-(Trifluoromethyl)benzylsulfonyl]thioacetamide

Chemical Properties

Melting point 165 °C
Boiling point 450.2±55.0 °C(Predicted)
Density  1.472±0.06 g/cm3(Predicted)
pka 12.21±0.29(Predicted)
form  powder
Sensitive  Stench
InChI 1S/C8H7Cl2NOS/c9-5-1-2-7(6(10)3-5)12-4-8(11)13/h1-3H,4H2,(H2,11,13)
InChIKey AGDXYFYNDRKKSF-UHFFFAOYSA-N
SMILES S=C(COC1=CC=C(Cl)C=C1Cl)N
CAS DataBase Reference 175276-83-2(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  20/21/22-36/37/38
Safety Statements  22-36/37/39
WGK Germany  WGK 3
Hazard Note  Irritant/Stench
HS Code  2930909899
Storage Class 11 - Combustible Solids

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