2-Chloroethyl (2E)-2-(3-Nitrobenzylidene)-3-Oxobutanoate
[CAS# 62760-10-5]

Identification

• Name: 2-Chloroethyl (2E)-2-(3-Nitrobenzylidene)-3-Oxobutanoate
• Synonyms: 2-CHLOROETHYL-2-ACETYL-2-((3-NITROPHENYL)METHYLENE)ACETATE
• Molecular Formula: C₁₃H₁₂ClNO₅
• Molecular Weight: 297.69
• CAS Registry Number: 62760-10-5
• SMILES: O=N(=O)c1cc(\C=C(/C(C)=O)C(=O)OCCCl)ccc1
• InChI: 1S/C13H12ClNO5/c1-9(16)12(13(17)20-6-5-14)8-10-3-2-4-11(7-10)15(18)19/h2-4,7-8H,5-6H2,1H3/b12-8+
• InChIKey: LVTILMGBUWGXNU-XYOKQWHBSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 448.713°C at 760 mmHg (Cal.)
• Flash point: 225.174°C (Cal.)