(2S)-2-[(3-Chloro-1,4-Dioxonaphthalen-2-Yl)Amino]Pentanedioic Acid
[CAS# 180179-63-9]

Identification

• Name: (2S)-2-[(3-Chloro-1,4-Dioxonaphthalen-2-Yl)Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[(3-Chloro-1,4-Dioxo-2-Naphthyl)Amino]Pentanedioic Acid; (2S)-2-[(3-Chloro-1,4-Diketo-2-Naphthyl)Amino]Glutaric Acid; (2S)-2-[(3-Chloro-1,4-Dioxo-Naphthalen-2-Yl)Amino]Pentanedioic Acid
• Molecular Formula: C₁₅H₁₂ClNO₆
• Molecular Weight: 337.72
• CAS Registry Number: 180179-63-9
• SMILES: [C@H](C(=O)O)(NC1=C(C(C2=C(C1=O)C=CC=C2)=O)Cl)CCC(=O)O
• InChI: 1S/C15H12ClNO6/c16-11-12(17-9(15(22)23)5-6-10(18)19)14(21)8-4-2-1-3-7(8)13(11)20/h1-4,9,17H,5-6H2,(H,18,19)(H,22,23)/t9-/m0/s1
• InChIKey: PKJVFMMDUMVWLU-VIFPVBQESA-N

Properties

• Density: 1.578g/cm³ (Cal.)
• Boiling point: 551.898°C at 760 mmHg (Cal.)
• Flash point: 287.578°C (Cal.)