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3-Ethynyl-benzoic acid Structure

3-Ethynyl-benzoic acid

Chemical Properties

Melting point 164-171°C
Boiling point 300.2±25.0 °C(Predicted)
Density  1.23±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  powder
pka 3.99±0.10(Predicted)
Appearance White to off-white Solid
InChI 1S/C9H6O2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H,(H,10,11)
InChIKey PHPIMLZTBYCDSX-UHFFFAOYSA-N
SMILES OC(=O)c1cccc(c1)C#C

Safety Information

Hazard Codes  Xn
Risk Statements  22-36-43
Safety Statements  26-36/37/39
WGK Germany  nwg
HS Code  2916399090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1

Usage And Synthesis

Preparation Products And Raw materials

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