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40412-06-4

Name 2-(2-thienyl)ethyl toluene-p-sulphonate
CAS 40412-06-4
EINECS(EC#) 254-911-5
Molecular Formula C13H14O3S2
MDL Number MFCD05150366
Molecular Weight 282.378
MOL File 40412-06-4.mol
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Chemical Properties

Melting point  30.0 to 34.0 °C
Boiling point  433.2±33.0 °C(Predicted)
density  1.280±0.06 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-25℃
storage temp.  Inert atmosphere,2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  Solid
color  Pale Yellow to Pale Brown Low-Melting
InChI InChI=1S/C13H14O3S2/c1-11-4-6-13(7-5-11)18(14,15)16-9-8-12-3-2-10-17-12/h2-7,10H,8-9H2,1H3
InChIKey HLPRKWVEMYDPAU-UHFFFAOYSA-N
SMILES C1=CSC(CCOS(=O)(=O)C2C=CC(C)=CC=2)=C1
LogP 2.8 at 20℃

Safety Data

HS Code  2934.99.4400

Hazard Information

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