2-[(4-Nitrobenzoyl)Amino]Acetic Acid
[CAS# 2645-07-0]

Identification

• Classification: Chemical reagent >> Organic reagent >> Aromatic acid
• Name: 2-[(4-Nitrobenzoyl)Amino]Acetic Acid
• Synonyms: 2-[[(4-Nitrophenyl)-Oxomethyl]Amino]Acetic Acid; 2-[(4-Nitrophenyl)Carbonylamino]Ethanoic Acid; 4-09-00-01199 (Beilstein Handbook Reference)
• Molecular Formula: C₉H₈N₂O₅
• Molecular Weight: 224.17
• CAS Registry Number: 2645-07-0
• EINECS: 220-156-5
• SMILES: C1=CC(=CC=C1C(NCC(O)=O)=O)[N+](=O)[O-]
• InChI: 1S/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)
• InChIKey: XCMUCRMMVDSVEL-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 128-131°C (Expl.)
• Boiling point: 531.2±35.0°C at 760 mmHg (Cal.)
• Flash point: 275.0±25.9°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): Powers RA, Morandi F, Shoichet BK. Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase., Structure. 2002 Jul;10(7):1013-23