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2-(Benzothioylthio)acetic acid Structure

2-(Benzothioylthio)acetic acid

Chemical Properties

Melting point 125-127 °C(lit.)
Boiling point 375.5±44.0 °C(Predicted)
Density  1.379±0.06 g/cm3(Predicted)
storage temp.  Store below +30°C.
solubility  acetone: soluble25mg/mL, clear
pka 2.91±0.10(Predicted)
form  powder to crystal
color  Orange to Brown to Dark red
InChI 1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChIKey XBEIANFIOZTEDE-UHFFFAOYSA-N
SMILES OC(=O)CSC(=S)c1ccccc1
CAS DataBase Reference 942-91-6(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
RIDADR  UN 3335
WGK Germany  3
HazardClass  IRRITANT
HS Code  29309070
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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