1216495-92-9

Name Diacetic Aceclofenac
CAS 1216495-92-9
Molecular Formula C20H17Cl2NO8
MDL Number MFCD17170096
Molecular Weight 470.26
MOL File 1216495-92-9.mol
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Chemical Properties

Melting point  118 - 121°C
Boiling point  617.0±55.0 °C(Predicted)
density  1.486±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly), Ethyl Acetate (Slightly)
form  neat
pka 2.46±0.10(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChI 1S/C20H17Cl2NO8/c21-13-5-3-6-14(22)20(13)23-15-7-2-1-4-12(15)8-17(26)30-10-19(28)31-11-18(27)29-9-16(24)25/h1-7,23H,8-11H2,(H,24,25)
InChIKey ZCCRLKICIDWHKV-UHFFFAOYSA-N
SMILES Clc1c(c(ccc1)Cl)Nc2c(cccc2)CC(=O)OCC(=O)OCC(=O)OCC(=O)O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P301+P312+P330
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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