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3-Phenoxybenzoic acid Structure

3-Phenoxybenzoic acid

Chemical Properties

Melting point 147-149 °C (lit.)
Boiling point 314.35°C (rough estimate)
Density  1.1956 (rough estimate)
refractive index  1.5090 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
pka 3.95(at 25℃)
form  Solid
color  White to Off-White
Water Solubility  It is soluble in water.
BRN  2105574
InChI InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChIKey NXTDJHZGHOFSQG-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1
CAS DataBase Reference 3739-38-6(CAS DataBase Reference)
EPA Substance Registry System Benzoic acid, 3-phenoxy- (3739-38-6)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
RIDADR  3077
WGK Germany  3
RTECS  DH6293500
HazardClass  9
HS Code  29189090
Toxicity mouse,LD50,intraperitoneal,350mg/kg (350mg/kg),Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 9, 1977.

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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