Phosphorothioic Acid O-[3-(Hydroxymethyl)-4-Nitrophenyl]O, O-Dimethyl Ester
[CAS# 59417-73-1]

Identification

• Name: Phosphorothioic Acid O-[3-(Hydroxymethyl)-4-Nitrophenyl]O, O-Dimethyl Ester
• Synonyms: (5-Dimethoxyphosphinothioyloxy-2-Nitro-Phenyl)Methanol; (5-Dimethoxythiophosphoryloxy-2-Nitro-Phenyl)Methanol; 3-Hydroxymethylfenitrothion
• Molecular Formula: C₉H₁₂NO₆PS
• Molecular Weight: 293.23
• CAS Registry Number: 59417-73-1
• SMILES: C1=C(C(=CC=C1O[P](OC)(OC)=S)[N+](=O)[O-])CO
• InChI: 1S/C9H12NO6PS/c1-14-17(18,15-2)16-8-3-4-9(10(12)13)7(5-8)6-11/h3-5,11H,6H2,1-2H3
• InChIKey: ZNSZNFFRGOFSNM-UHFFFAOYSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 404.398°C at 760 mmHg (Cal.)
• Flash point: 198.373°C (Cal.)