83237-49-4

Name 5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid
CAS 83237-49-4
EINECS(EC#) 1312995-182-4
Molecular Formula C17H16O4S
MDL Number MFCD09952329
Molecular Weight 316.37
MOL File 83237-49-4.mol
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Chemical Properties

Melting point  145-146 °C(Solv: 1,2-dichloroethane (107-06-2))
Boiling point  517.4±50.0 °C(Predicted)
density  1.34±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  Acetone (Slightly), DMSO (Slightly)
form  Solid
pka 4.09±0.10(Predicted)
color  Off-White
InChI InChI=1S/C17H16O4S/c1-11(17(20)21)12-7-8-15(13(9-12)10-16(18)19)22-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,18,19)(H,20,21)
InChIKey HCKQCCUGCHJSOS-UHFFFAOYSA-N
SMILES C(C1C=C(C(C)C(=O)O)C=CC=1SC1C=CC=CC=1)C(=O)O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

Hazard Information

Spectrum Detail

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