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4-(Methylthio)benzoic acid Structure

4-(Methylthio)benzoic acid

  • Product Name4-(Methylthio)benzoic acid
  • CAS13205-48-6
  • CBNumberCB3178683
  • MFC8H8O2S
  • MW168.21
  • EINECS236-171-5
  • MDL NumberMFCD00002555
  • MOL File13205-48-6.mol

Chemical Properties

Melting point: 192-196 °C(lit.)
Boiling point: 319.0±25.0 °C(Predicted)
Density  1.28±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
pka 4.28±0.10(Predicted)
form  powder to crystal
color  White to Light yellow
BRN  2082809
InChI InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey KWHCPERWLHBLOT-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(SC)C=C1
LogP 2.740
CAS DataBase Reference 13205-48-6(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  Xn
Risk Statements  36/37/38-22
Safety Statements  22-24/25-37/39-26
WGK Germany  3
HS Code  2930909099
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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4-(Methylthio)benzoic acid Chemical Properties,Usage,Production

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