1-(6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Yl)Piperidine 4-Sulfide
[CAS# 99300-61-5]

Identification

• Name: 1-(6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Yl)Piperidine 4-Sulfide
• Synonyms: 1-(3-Nitro-8-Thioxo-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.4.0]Deca-1(6),2,4-Trien-8-Yl)Piperidine; 1-(6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Yl)Piperidine P-Sulfide; Piperidine, 1-(6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Yl)-, P-Sulfide
• Molecular Formula: C₁₂H₁₅N₂O₄PS
• Molecular Weight: 314.30
• CAS Registry Number: 99300-61-5
• SMILES: C1=C2C(=CC=C1[N+]([O-])=O)O[P](=S)(OC2)N3CCCCC3
• InChI: 1S/C12H15N2O4PS/c15-14(16)11-4-5-12-10(8-11)9-17-19(20,18-12)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7,9H2
• InChIKey: SJAABBLGIDUQJL-UHFFFAOYSA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Boiling point: 437.527°C at 760 mmHg (Cal.)
• Flash point: 218.409°C (Cal.)