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4-Chlorophenoxyacetic acid Structure

4-Chlorophenoxyacetic acid

Chemical Properties

Melting point 157-159 °C
Boiling point 266.91°C (rough estimate)
Density  1.3245 (rough estimate)
refractive index  1.5250 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  957mg/l
pka pK1: 3.10 (25°C)
form  crystalline
color  White to light beige
Water Solubility  848mg/L(25 ºC)
BRN  1211804
Henry's Law Constant 1.0×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Major Application agriculture
environmental
InChI 1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey SODPIMGUZLOIPE-UHFFFAOYSA-N
SMILES OC(=O)COc1ccc(Cl)cc1
LogP 2.250
CAS DataBase Reference 122-88-3(CAS DataBase Reference)
NIST Chemistry Reference 4-Chlorophenoxyacetic acid(122-88-3)
EPA Substance Registry System 4-Chlorophenoxyacetic acid (122-88-3)

Safety Information

Hazard Codes  Xn,Xi
Risk Statements  22-R22
Safety Statements  22-24/25
RIDADR  2811
WGK Germany  1
RTECS  AG0175000
21
TSCA  TSCA listed
HazardClass  IRRITANT
HS Code  29189090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Hazardous Substances Data 122-88-3(Hazardous Substances Data)
Toxicity LD50 oral in rat: 850mg/kg

MSDS

Usage And Synthesis

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