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1169562-71-3

Name XL413 (BMS-863233)
CAS 1169562-71-3
Molecular Formula C14H12ClN3O2.x(HCl)
MDL Number MFCD28023577
Molecular Weight 326.178
MOL File 1169562-71-3.mol
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Chemical Properties

storage temp.  -20°C
solubility  DMSO: Insoluble;Ethanol: Insoluble
form  powder
color  white to beige
Water Solubility  Water: 46 mg/mL (141.03 mM)
Stability: Hygroscopic
InChI 1S/C14H12ClN3O2.CH4/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H4/t9-;/m0./s1
InChIKey UYBMDYGAVMHMGF-FVGYRXGTSA-N
SMILES ClC1=CC2=C(C=C1)OC3=C2N=C([C@H]4NCCC4)NC3=O.C

Safety Data

Symbol(GHS) 
GHS06
Signal word  Danger
Hazard statements  H301
Precautionary statements  P301+P310+P330
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  WGK 3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

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