942-91-6

Name 2-(Benzothioylthio)acetic acid
CAS 942-91-6
EINECS(EC#) 213-393-0
Molecular Formula C9H8O2S2
MDL Number MFCD00004927
Molecular Weight 212.29
MOL File 942-91-6.mol
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Chemical Properties

Appearance DARK RED CRYSTALLINE POWDER
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
form  powder to crystal
pka 2.91±0.10(Predicted)
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 Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  UN 3335
WGK Germany  3
HazardClass  IRRITANT
HS Code  29309070
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2

Hazard Information

Material Safety Data Sheet(MSDS)

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