Dimethyl (2-Nitro-1-Phenylethyl)Malonate
[CAS# 55790-16-4]

Identification

• Name: Dimethyl (2-Nitro-1-Phenylethyl)Malonate
• Synonyms: dimethyl 2-(2-nitro-1-phenylethyl)propane-1,3-dioate; Methyl 2-methoxycarbonyl-4-nitro-3-phenylbutanoate; PROPANEDIOIC ACID, [(1R)-2-NITRO-1-PHENYLETHYL]-, DIMETHYL ESTER
• Molecular Formula: C₁₃H₁₅NO₆
• Molecular Weight: 281.26
• CAS Registry Number: 55790-16-4
• SMILES: O=C(OC)C(C(=O)OC)C(c1ccccc1)C[N+]([O-])=O
• InChI: 1S/C13H15NO6/c1-19-12(15)11(13(16)20-2)10(8-14(17)18)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3
• InChIKey: IBGOYXMLFPKRDY-UHFFFAOYSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 408.249°C at 760 mmHg (Cal.)
• Flash point: 171.478°C (Cal.)