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302964-08-5

Name N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
CAS 302964-08-5
EINECS(EC#) 695-686-7
Molecular Formula C16H13Cl2N5OS
MDL Number MFCD11045075
Molecular Weight 394.28
MOL File 302964-08-5.mol
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Chemical Properties

Melting point  333-335°C
Boiling point  566.95° C (Predicted)
density  1.516±0.06 g/cm3(Predicted)
refractive index  n20D 1.72 (Predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  DMSO (Slightly)
form  Solid
pka 10.92±0.70(Predicted)
color  Pale Yellow
Water Solubility  Slightly soluble in water
Usage Dasatinib intermediate. A protein tyrosine kinase inhibitor
InChI InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)
InChIKey LMXUWARKUIELGT-UHFFFAOYSA-N
SMILES S1C(C(NC2=C(C)C=CC=C2Cl)=O)=CN=C1NC1C=C(Cl)N=C(C)N=1
CAS DataBase Reference 302964-08-5(CAS DataBase Reference)

Safety Data

HS Code  2933399990

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