4-Toluenesulfonylacetic acid Structure

4-Toluenesulfonylacetic acid

Chemical Properties

Melting point 117 °C
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
color  White to Light yellow to Dark green
Water Solubility  Insoluble in water.
BRN  2331311
InChI InChI=1S/C9H10O4S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey AQDHXMBUTDLAMD-UHFFFAOYSA-N
SMILES C(O)(=O)CS(C1=CC=C(C)C=C1)(=O)=O
CAS DataBase Reference 3937-96-0(CAS DataBase Reference)
FDA UNII YID78NF77O

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements  36/37/38
Safety Statements  26-36/37/39
HS Code  2930.90.2900
HazardClass  IRRITANT
NFPA 704:
0
2 0

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