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1,3-PHENYLENEDIACETIC ACID Structure

1,3-PHENYLENEDIACETIC ACID

Chemical Properties

Melting point 175-177 °C (lit.)
Boiling point 290.62°C (rough estimate)
Density  1.2534 (rough estimate)
refractive index  1.5430 (estimate)
storage temp.  Sealed in dry,Room Temperature
form  Fine Crystalline Powder
pka 3.93±0.10(Predicted)
color  White to light yellow
Water Solubility  Slightly soluble in water. Solublitiy in methanol is almost transparency.
BRN  2616749
InChI InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey GDYYIJNDPMFMTB-UHFFFAOYSA-N
SMILES C1(CC(O)=O)=CC=CC(CC(O)=O)=C1
CAS DataBase Reference 19806-17-8(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
WGK Germany  3
RTECS  AJ2780000
HS Code  29173990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity mouse,LD50,intravenous,178mg/kg (178mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00636,

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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