2058-52-8

Name CLOTHIAPINE
CAS 2058-52-8
EINECS(EC#) 218-162-8
Molecular Formula C18H18ClN3S
MDL Number MFCD00866705
Molecular Weight 343.87
MOL File 2058-52-8.mol
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Chemical Properties

Melting point  121-123℃
Boiling point  163.4°C (rough estimate)
density  1.2405 (rough estimate)
refractive index  1.6000 (estimate)
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Off-white solid (m.p. 118-120°C).
pka 7.22±0.42(Predicted)
color  White to light yellow
Stability: Hygroscopic
InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChIKey KAAZGXDPUNNEFN-UHFFFAOYSA-N
SMILES S1C2=CC=C(Cl)C=C2C(N2CCN(C)CC2)=NC2=CC=CC=C12

Safety Data

Symbol(GHS)  Environment (GHS09)Skull and Crossbones (GHS06)
GHS09,GHS06
Signal word  Danger
Hazard statements  H301-H400-H410
Precautionary statements  P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Safety Profile
Poison by ingestion. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits very toxic fumes of Cl-, NOx, and SOx.
Toxicity
LD50 oral in rat: 280mg/kg

Hazard Information

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