Diethyl [(5-Bromo-1H-Indol-3-Yl)Methylene]Malonate
[CAS# 93941-03-8]

Identification

• Name: Diethyl [(5-Bromo-1H-Indol-3-Yl)Methylene]Malonate
• Synonyms: Diethyl 2-[(5-Bromo-1H-Indol-3-Yl)Methylene]Propanedioate; 2-[(5-Bromo-1H-Indol-3-Yl)Methylene]Propanedioic Acid Diethyl Ester; 2-[(5-Bromo-1H-Indol-3-Yl)Methylene]Malonic Acid Diethyl Ester
• Molecular Formula: C₁₆H₁₆BrNO₄
• Molecular Weight: 366.21
• CAS Registry Number: 93941-03-8
• EINECS: 300-502-2
• SMILES: C1=C(Br)C=CC2=C1C(=C[NH]2)C=C(C(OCC)=O)C(OCC)=O
• InChI: 1S/C16H16BrNO4/c1-3-21-15(19)13(16(20)22-4-2)7-10-9-18-14-6-5-11(17)8-12(10)14/h5-9,18H,3-4H2,1-2H3
• InChIKey: XFWAGGLINZUVII-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 466.193°C at 760 mmHg (Cal.)
• Flash point: 235.746°C (Cal.)

References

• (1): S. S. Golotvin, E. Vodopianov, R. Pol, B. A. Lefebvre, A. J. Williams, R. D. Rutkowske and T. D. Spitzer. Automated structure verification based on a combination of 1D 1H NMR and 2D 1H–13C HSQC spectra, Magn. Reson. Chem. 2007, 45, 803–813