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99519-84-3

Name 5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide
CAS 99519-84-3
Molecular Formula C17H12Cl3N5O2
MDL Number MFCD00866325
Molecular Weight 424.67
MOL File 99519-84-3.mol

Chemical Properties

Melting point  200-202 °C
Boiling point  685.5±65.0 °C(Predicted)
density  1.65±0.1 g/cm3(Predicted)
storage temp.  Store at +4°C
solubility  DMSO: soluble10mg/mL (clear solution)
form  powder
pka 14.16±0.50(Predicted)
color  white to beige
InChI 1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
InChIKey WNRZHQBJSXRYJK-UHFFFAOYSA-N
SMILES NC(=O)c1nnn(Cc2cc(Cl)c(c(Cl)c2)C(=O)c3ccc(Cl)cc3)c1N

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

Hazard Information

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