N-Hexadecyl-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide
[CAS# 130365-34-3]

Identification

• Name: N-Hexadecyl-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide
• Synonyms: N-Hexadecyl-3-Nitro-8-Thioxo-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.4.0]Deca-1(6),2,4-Trien-8-Amine; Cetyl-(3-Nitro-8-Thioxo-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.4.0]Deca-1(6),2,4-Trien-8-Yl)Amine; 4H-1,3,2-Benzodioxaphosphorin-2-Amine, N-Hexadecyl-6-Nitro-, 2-Sulfide
• Molecular Formula: C₂₃H₃₉N₂O₄PS
• Molecular Weight: 470.61
• CAS Registry Number: 130365-34-3
• SMILES: C1=C2C(=CC=C1[N+]([O-])=O)O[P](=S)(OC2)NCCCCCCCCCCCCCCCC
• InChI: 1S/C23H39N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-30(31)28-20-21-19-22(25(26)27)16-17-23(21)29-30/h16-17,19H,2-15,18,20H2,1H3,(H,24,31)
• InChIKey: LBDUPNUHUSLPMT-UHFFFAOYSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 553.016°C at 760 mmHg (Cal.)
• Flash point: 288.254°C (Cal.)