39161-84-7

Name 4-MERCAPTOPHENYLACETIC ACID
CAS 39161-84-7
Molecular Formula C8H8O2S
MDL Number MFCD00797617
Molecular Weight 168.21
MOL File 39161-84-7.mol
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Chemical Properties

Appearance White Powder
Melting point  105-109 °C(lit.)
Boiling point  336.0±17.0 °C(Predicted)
density  1.299±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under Inert Atmosphere
solubility  Acetonitrile (Slightly), DMSO (Slightly)
form  Solid
pka 4.21±0.10(Predicted)
color  Off-White
Water Solubility  Slightly soluble in water. Soluble in Dichloromethane, Ethanol and Methanol
Sensitive  Air Sensitive
InChI InChI=1S/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)
InChIKey ORXSLDYRYTVAPC-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=C(S)C=C1

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
RIDADR  UN 3335
WGK Germany  3
HS Code  2930909899
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Dam. 1
Skin Irrit. 2
STOT SE 3

Hazard Information

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