54707-71-0

Name CLONIDINE RELATED COMPOUND A (25 MG) (ACET-YLCLONIDINE)
CAS 54707-71-0
Molecular Formula C11H11Cl2N3O
Molecular Weight 272.13
MOL File 54707-71-0.mol

Chemical Properties

Melting point  162-166°C
Boiling point  366.3±52.0 °C(Predicted)
density  1.44±0.1 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly, Heated)
pka 1.57±0.70(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChI 1S/C16H15ClN2O3S/c17-14-10-12(23(18,21)22)6-7-15(14)19-9-8-13(16(19)20)11-4-2-1-3-5-11/h1-7,10,13H,8-9H2,(H2,18,21,22)
InChIKey YSGUBGGKAMJBNI-UHFFFAOYSA-N
SMILES [S](=O)(=O)(N)c1cc(c(cc1)N2CCC(C2=O)c3ccccc3)Cl

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H312-H332
Precautionary statements  P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
HS Code  2933290000

Hazard Information

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