53786-28-0

Name 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone
CAS 53786-28-0
EINECS(EC#) 258-771-6
Molecular Formula C12H14ClN3O
MDL Number MFCD02093793
Molecular Weight 251.71
MOL File 53786-28-0.mol
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Chemical Properties

Melting point  228-231 °C (lit.)
density  1.323±0.06 g/cm3(Predicted)
vapor pressure  0Pa at 20℃
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 11.12±0.30(Predicted)
color  White to Off-White
Water Solubility  549mg/L at 20℃
InChI InChI=1S/C12H14ClN3O/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2,(H,15,17)
InChIKey DOAYWDKFDPSTSV-UHFFFAOYSA-N
SMILES C1(=O)N(C2CCNCC2)C2=CC=C(Cl)C=C2N1
LogP -0.6 at 20℃
CAS DataBase Reference 53786-28-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
REACH Registrations Active
HS Code  29339980
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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