I-BET762 carboxylic acid
[CAS# 1300019-38-8]

Identification

• Name: I-BET762 carboxylic acid
• Synonyms: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetic acid
• Molecular Formula: C₂₀H₁₇ClN₄O₃
• Molecular Weight: 396.83
• CAS Registry Number: 1300019-38-8
• SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=N[C@H]2CC(=O)O)C4=CC=C(C=C4)Cl

Properties

• Density: 1.4±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.692, Calc.^*
• Boiling Point: 648.3±65.0 ºC (760 mmHg), Calc.^*
• Flash Point: 345.9±34.3 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501