1-(6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Yl)Pyrrolidine 4-Sulfide
[CAS# 99300-60-4]

Identification

• Name: 1-(6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Yl)Pyrrolidine 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)Pyrrolidine; Pyrrolidine, 1-(6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Yl)-, P-Sulfide; 1-(6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Yl)Pyrrolidine P-Sulfide
• Molecular Formula: C₁₁H₁₃N₂O₄PS
• Molecular Weight: 300.27
• CAS Registry Number: 99300-60-4
• SMILES: C1=C2C(=CC=C1[N+]([O-])=O)O[P](=S)(OC2)N3CCCC3
• InChI: 1S/C11H13N2O4PS/c14-13(15)10-3-4-11-9(7-10)8-16-18(19,17-11)12-5-1-2-6-12/h3-4,7H,1-2,5-6,8H2
• InChIKey: BGXAXDXMYWQZSN-UHFFFAOYSA-N

Properties

• Density: 1.51g/cm³ (Cal.)
• Boiling point: 424.677°C at 760 mmHg (Cal.)
• Flash point: 210.637°C (Cal.)