N-Heptadecyl-6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Amine 2-Sulfide
[CAS# 99300-62-6]

Identification

• Name: N-Heptadecyl-6-Nitro-4H-1,3,2-Benzodioxaphosphorin-2-Amine 2-Sulfide
• Synonyms: N-Heptadecyl-3-Nitro-8-Thioxo-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.4.0]Deca-1(6),2,4-Trien-8-Amine; Heptadecyl-(3-Nitro-8-Thioxo-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.4.0]Deca-1(6),2,4-Trien-8-Yl)Amine; 4H-1,3,2-Benzodioxaphosphorin-2-Amine, N-Heptadecyl-6-Nitro
• Molecular Formula: C₂₄H₄₁N₂O₄PS
• Molecular Weight: 484.63
• CAS Registry Number: 99300-62-6
• SMILES: C1=C2C(=CC=C1[N+]([O-])=O)O[P](=S)(OC2)NCCCCCCCCCCCCCCCCC
• InChI: 1S/C24H41N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-31(32)29-21-22-20-23(26(27)28)17-18-24(22)30-31/h17-18,20H,2-16,19,21H2,1H3,(H,25,32)
• InChIKey: VVNDZSIUFLGYKT-UHFFFAOYSA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 564.103°C at 760 mmHg (Cal.)
• Flash point: 294.959°C (Cal.)