Identification Chemical Properties Safety Data Hazard Information Supplier

101714-41-4

Name Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester (9CI)
CAS 101714-41-4
Molecular Formula C9H7NO3S
MDL Number MFCD22415334
Molecular Weight 209.22
MOL File 101714-41-4.mol

Chemical Properties

Melting point  127 °C
Boiling point  517℃
density  1.476
Fp  267℃
storage temp.  2-8°C
solubility  DMSO: soluble20mg/mL, clear
form  powder
pka 7.54±0.20(Predicted)
color  white to beige
InChI InChI=1S/C9H7NO3S/c10-5-14-4-9(13)6-1-2-7(11)8(12)3-6/h1-3,11-12H,4H2
InChIKey SVFLBLCWKKQKDW-UHFFFAOYSA-N
SMILES S(CC(C1=CC=C(O)C(O)=C1)=O)C#N

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3

Hazard Information

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