KI696
[CAS# 1799974-70-1]

Identification

• Name: KI696
• Synonyms: (3s)-3-(7-Methoxy-1-Methyl-1h-Benzo[d][1,2,3]triazol-5-Yl)-3-(4-Methyl-3-(((R)-4-Methyl-1,1-Dioxido-3,4-Dihydro-2h-Benzo[b][1,4,5]oxathiazepin-2-Yl)methyl)phenyl)propanoic Acid
• Molecular Formula: C₂₈H₃₀N₄O₆S
• Molecular Weight: 550.63
• CAS Registry Number: 1799974-70-1
• SMILES: C[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)[C@H](CC(=O)O)C4=CC5=C(C(=C4)OC)N(N=N5)C)C

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.662, Calc.^*
• Boiling Point: 760.5±70.0 ºC (760 mmHg), Calc.^*
• Flash Point: 413.7±35.7 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501