3-(4-Bromo-3-Oxobutanesulfonyl)-1-Propionic Acid 4-Nitrophenyl Ester
[CAS# 76785-49-4]

Identification

• Name: 3-(4-Bromo-3-Oxobutanesulfonyl)-1-Propionic Acid 4-Nitrophenyl Ester
• Synonyms: (4-Nitrophenyl) 3-(4-Bromo-3-Oxo-Butyl)Sulfonylpropanoate; 3-(4-Bromo-3-Oxobutyl)Sulfonylpropanoic Acid (4-Nitrophenyl) Ester; 3-(4-Bromo-3-Keto-Butyl)Sulfonylpropionic Acid (4-Nitrophenyl) Ester
• Molecular Formula: C₁₃H₁₄BrNO₇S
• Molecular Weight: 408.22
• CAS Registry Number: 76785-49-4
• SMILES: C1=C(OC(=O)CC[S](=O)(=O)CCC(=O)CBr)C=CC(=C1)[N+]([O-])=O
• InChI: 1S/C13H14BrNO7S/c14-9-11(16)5-7-23(20,21)8-6-13(17)22-12-3-1-10(2-4-12)15(18)19/h1-4H,5-9H2
• InChIKey: GTTBHZGHAWBRMQ-UHFFFAOYSA-N

Properties

• Density: 1.615g/cm³ (Cal.)
• Boiling point: 633.383°C at 760 mmHg (Cal.)
• Flash point: 336.858°C (Cal.)