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Clofentezine Structure

Clofentezine

Chemical Properties

Melting point 182-185 °C(lit.)
Boiling point 457.37°C (rough estimate)
Density  1.3727 (rough estimate)
refractive index  1.6300 (estimate)
storage temp.  0-6°C
solubility  Chloroform: Slightly Soluble
form  Solid
pka -1.68±0.31(Predicted)
color  Light yellow to yellow
Water Solubility  2.522ug/L(temperature not stated)
Merck  13,2398
BRN  7137128
Major Application agriculture
environmental
InChI 1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
InChIKey UXADOQPNKNTIHB-UHFFFAOYSA-N
SMILES Clc1ccccc1-c2nnc(nn2)-c3ccccc3Cl
LogP 3.100
CAS DataBase Reference 74115-24-5(CAS DataBase Reference)
EPA Substance Registry System Clofentezine (74115-24-5)

Safety Information

Safety Statements  22-24/25
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
RTECS  XF6860000
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 1
Toxicity LD50 in rats, mice (mg/kg): >3200 orally; LC50 (96 hr) in rainbow trout: 100 mg/l (Bryan)

MSDS

Usage And Synthesis

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