1-[4-[(4-Nitrophenyl)Sulfonyl]Phenyl]Biguanide
[CAS# 20566-98-7]

Identification

• Name: 1-[4-[(4-Nitrophenyl)Sulfonyl]Phenyl]Biguanide
• Synonyms: 1-(Diaminomethylene)-2-[4-(4-Nitrophenyl)Sulfonylphenyl]Guanidine; 1-(P-((P-Nitrophenyl)Sulfonyl)Phenyl)Biguanide; 3-13-00-01308 (Beilstein Handbook Reference)
• Molecular Formula: C₁₄H₁₄N₆O₄S
• Molecular Weight: 362.36
• CAS Registry Number: 20566-98-7
• SMILES: C2=C([S](=O)(=O)C1=CC=C([N+]([O-])=O)C=C1)C=CC(=C2)N=C(N)N=C(N)N
• InChI: 1S/C14H14N6O4S/c15-13(16)19-14(17)18-9-1-5-11(6-2-9)25(23,24)12-7-3-10(4-8-12)20(21)22/h1-8H,(H6,15,16,17,18,19)
• InChIKey: KERPYVVCSBJINT-UHFFFAOYSA-N

Properties

• Density: 1.601g/cm³ (Cal.)
• Boiling point: 669.35°C at 760 mmHg (Cal.)
• Flash point: 358.61°C (Cal.)