2,3,4,5-Tetrahydro-3-Phenyl-1H-1,5,3-Benzodiazaphosphepine 3-Sulfide
[CAS# 82409-34-5]

Identification

• Name: 2,3,4,5-Tetrahydro-3-Phenyl-1H-1,5,3-Benzodiazaphosphepine 3-Sulfide
• Synonyms: 4-Phenyl-4-Thioxo-2,6-Diaza-4$L^{5}-Phosphabicyclo[5.4.0]Undeca-1(11),7,9-Triene; 2,3,4,5-Tetrahydro-3-Phenyl-1H-1,5,3-Benzodiazaphosphepine 3-Sulfide; Brn 5036631
• Molecular Formula: C₁₄H₁₅N₂PS
• Molecular Weight: 274.32
• CAS Registry Number: 82409-34-5
• SMILES: C3=C([P]2(=S)CNC1=CC=CC=C1NC2)C=CC=C3
• InChI: 1S/C14H15N2PS/c18-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-17/h1-9,15-16H,10-11H2
• InChIKey: RRHDWIFMDKEMPL-UHFFFAOYSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 471.888°C at 760 mmHg (Cal.)
• Flash point: 239.189°C (Cal.)