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Clotrimazole Structure

Clotrimazole

Chemical Properties

Melting point 147-149°C
Boiling point 501.14°C (rough estimate)
Density  1.1095 (rough estimate)
refractive index  1.5940 (estimate)
storage temp.  2-8°C
solubility  Soluble in chloroform, DMSO, DMF and alcohols
pka pKa 4.7(EtOH 50%aq ) (Uncertain)
color  White to Almost white
Water Solubility  <10mg/L(25 ºC)
λmax 556nm(Phosphate buffer sol.)(lit.)
Merck  14,2417
InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKey VNFPBHJOKIVQEB-UHFFFAOYSA-N
SMILES C1N(C(C2=CC=CC=C2Cl)(C2=CC=CC=C2)C2=CC=CC=C2)C=CN=1
NIST Chemistry Reference Clotrimazole(23593-75-1)

Safety Information

Hazard Codes  Xn
Risk Statements  22-36/38
Safety Statements  26-36
WGK Germany  3
RTECS  NI4377000
HS Code  29332900
Hazardous Substances Data 23593-75-1(Hazardous Substances Data)
Toxicity LD50 in male mice, rats (mg/kg): 923, 708 orally (Tettenborn)

MSDS

Usage And Synthesis

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