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3-(4-Chlorophenyl)propanoic acid Structure

3-(4-Chlorophenyl)propanoic acid

Chemical Properties

Melting point 127-131 °C (lit.)
Boiling point 263.86°C (rough estimate)
Density  1.1989 (rough estimate)
refractive index  1.5242 (estimate)
storage temp.  Sealed in dry,Room Temperature
pka 4.61(at 25℃)
form  solid
color  White to off white
InChI InChI=1S/C9H9ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChIKey BBSLOKZINKEUCR-UHFFFAOYSA-N
SMILES C1(CCC(O)=O)=CC=C(Cl)C=C1
CAS DataBase Reference 2019-34-3(CAS DataBase Reference)
NIST Chemistry Reference 3-(4-Chlorophenyl)propionic acid(2019-34-3)

Safety Information

Hazard Codes  Xn,Xi
Risk Statements  22-41
Safety Statements  26-36/37/39
WGK Germany  2
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1

MSDS

Usage And Synthesis

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