13205-49-7

Name 4-(ETHYLTHIO)BENZOIC ACID
CAS 13205-49-7
EINECS(EC#) 236-172-0
Molecular Formula C9H10O2S
MDL Number MFCD00002556
Molecular Weight 182.24
MOL File 13205-49-7.mol
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Chemical Properties

Melting point  145-147 °C (lit.)
Boiling point  329.8±25.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
form  solid
pka 4.24±0.10(Predicted)
Appearance White to off-white Solid
InChI 1S/C9H10O2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey LDYCQBKCUOVGDA-UHFFFAOYSA-N
SMILES CCSc1ccc(cc1)C(O)=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Hazard statements  H315-H319-H335
Precautionary statements  P261-P302+P352-P305+P351+P338-P321-P405-P501a
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  2930909099
Storage Class 11 - Combustible Solids

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