113-53-1

Name Dothiepin
CAS 113-53-1
EINECS(EC#) 204-031-2
Molecular Formula C19H21NS
MDL Number MFCD00242922
Molecular Weight 295.44
MOL File 113-53-1.mol
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Chemical Properties

Melting point  55-57°
Boiling point  bp0.05 171-172°
density  1.1022 (rough estimate)
refractive index  1.5300 (estimate)
storage temp.  Refrigerator
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Thick Oil to Low-Melting Solid
pka 9.35±0.28(Predicted)
color  Off-White to Light Yellow
InChI 1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11-;
InChIKey XUPZAARQDNSRJB-CULRIWENSA-N
SMILES S1Cc2c(cccc2)\C(=C\CCN(C)C)\c3c1cccc3.Cl

Safety Data

RIDADR  3249
WGK Germany  WGK 3
HazardClass  6.1(b)
PackingGroup  III
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Lact.
Repr. 2
Hazardous Substances Data 113-53-1(Hazardous Substances Data)
Toxicity
LD50 oral in rat: 450mg/kg

Hazard Information

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