2-(2-Chloro-5-Nitrobenzoyl)-Propanedioic Acid 1,3-Diethyl Ester
[CAS# 94088-68-3]

Identification

• Name: 2-(2-Chloro-5-Nitrobenzoyl)-Propanedioic Acid 1,3-Diethyl Ester
• Synonyms: Diethyl 2-(2-Chloro-5-Nitro-Benzoyl)Propanedioate; 2-[(2-Chloro-5-Nitrophenyl)-Oxomethyl]Propanedioic Acid Diethyl Ester; 2-(2-Chloro-5-Nitro-Benzoyl)Malonic Acid Diethyl Ester
• Molecular Formula: C₁₄H₁₄ClNO₇
• Molecular Weight: 343.72
• CAS Registry Number: 94088-68-3
• EINECS: 302-070-0
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1C(=O)C(C(OCC)=O)C(OCC)=O)Cl
• InChI: 1S/C14H14ClNO7/c1-3-22-13(18)11(14(19)23-4-2)12(17)9-7-8(16(20)21)5-6-10(9)15/h5-7,11H,3-4H2,1-2H3
• InChIKey: DGWXMMOJNMGHRO-UHFFFAOYSA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 378.59°C at 760 mmHg (Cal.)
• Flash point: 182.765°C (Cal.)