52605-52-4

Name 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride
CAS 52605-52-4
EINECS(EC#) 258-038-0
Molecular Formula C13H19Cl3N2
MDL Number MFCD00067039
Molecular Weight 309.66
MOL File 52605-52-4.mol
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Chemical Properties

Melting point  198-203 °C(lit.)
Boiling point  147℃[at 101 325 Pa]
vapor pressure  0Pa at 25℃
storage temp.  2-8°C
solubility  DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form  powder to crystal
color  White to Light yellow
Water Solubility  3.9g/L at 28℃
InChI InChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H
InChIKey JVLRNANYLVRULL-UHFFFAOYSA-N
SMILES ClC1=CC=CC(N2CCN(CCCCl)CC2)=C1.Cl
LogP 0.301 at 28℃
CAS DataBase Reference 52605-52-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
F  10-21
REACH Registrations Active
HS Code  2933599550
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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