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3-Fluorophenylacetic acid Structure

3-Fluorophenylacetic acid

Chemical Properties

Melting point 42-44 °C (lit.)
Boiling point 151 °C
Density  1.1850 (estimate)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
pka 4.10±0.10(Predicted)
form  powder to crystal
color  White to Almost white
Water Solubility  Slightly soluble in chloroform and methanol. Insoluble in water.
BRN  775898
InChI InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey YEAUYVGUXSZCFI-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=CC(F)=C1
CAS DataBase Reference 331-25-9(CAS DataBase Reference)
FDA UNII 4CP7BU47LD
NIST Chemistry Reference M-fluorophenylacetic acid(331-25-9)
EPA Substance Registry System Benzeneacetic acid, 3-fluoro- (331-25-9)

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P280g-P305+P351+P338
Hazard Codes  Xi
Risk Statements  38-36/37/38
Safety Statements  22-24/25-36-26
WGK Germany  3
TSCA  T
HazardClass  IRRITANT
HS Code  29163900
NFPA 704:
1
2 0

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