5345-27-7

Name 3-(METHYLSULFONYL)BENZOIC ACID
CAS 5345-27-7
Molecular Formula C8H8O4S
MDL Number MFCD00216488
Molecular Weight 200.21
MOL File 5345-27-7.mol
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Chemical Properties

Appearance White to very slightly yellow powder
Melting point  230-238 °C
Boiling point  230-238°C
density  1.4787 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Powder
pka pK1:3.52 (25°C)
color  White to very slightly yellow
Sensitive  Moisture Sensitive
InChI InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey KUTBMATZUQWFSR-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(S(C)(=O)=O)=C1
CAS DataBase Reference 5345-27-7(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
S24/25:Avoid contact with skin and eyes .
Hazard Note  Irritant
HS Code  29163990

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