2-[4-[(3-Nitropyridin-2-Yl)Sulfanyloxymethyl]Phenyl]Acetic Acid
[CAS# 77357-10-9]

Identification

• Name: 2-[4-[(3-Nitropyridin-2-Yl)Sulfanyloxymethyl]Phenyl]Acetic Acid
• Synonyms: 2-[4-[(3-Nitro-2-Pyridyl)Sulfanyloxymethyl]Phenyl]Acetic Acid; 2-[4-[[(3-Nitro-2-Pyridyl)Thio]Oxymethyl]Phenyl]Acetic Acid; 2-[4-[(3-Nitropyridin-2-Yl)Sulfanyloxymethyl]Phenyl]Ethanoic Acid
• Molecular Formula: C₁₄H₁₂N₂O₅S
• Molecular Weight: 320.32
• CAS Registry Number: 77357-10-9
• SMILES: C1=C([N+]([O-])=O)C(=NC=C1)SOCC2=CC=C(C=C2)CC(=O)O
• InChI: 1S/C14H12N2O5S/c17-13(18)8-10-3-5-11(6-4-10)9-21-22-14-12(16(19)20)2-1-7-15-14/h1-7H,8-9H2,(H,17,18)
• InChIKey: ISDBDHAODVVOQY-UHFFFAOYSA-N

Properties

• Density: 1.468g/cm³ (Cal.)
• Boiling point: 532.246°C at 760 mmHg (Cal.)
• Flash point: 275.693°C (Cal.)