Chlorhexidine Phosphanilate
[CAS# 77146-42-0]

Identification

• Name: Chlorhexidine Phosphanilate
• Synonyms: 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-Bis(4-Chlorophenyl)-3,12-Diimino-, (4-Aminophenyl)Phosphonate (1:2); Bmy 30120; Chlorhexidine Phosphanilate
• Molecular Formula: C₂₈H₃₈Cl₂N₁₁O₃P
• Molecular Weight: 678.56
• CAS Registry Number: 77146-42-0
• SMILES: C2=C(NC(=NC(=NCCCCCCN=C(N=C(NC1=CC=C(Cl)C=C1)N)N)N)N)C=CC(=C2)Cl.C3=C([P](O)(O)=O)C=CC(=C3)N
• InChI: 1S/C22H30Cl2N10.C6H8NO3P/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;7-5-1-3-6(4-2-5)11(8,9)10/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);1-4H,7H2,(H2,8,9,10)
• InChIKey: PDLGUNOGJJVMOD-UHFFFAOYSA-N

Properties

• Boiling point: 699.3°C at 760 mmHg (Cal.)
• Flash point: 376.7°C (Cal.)