(4-Carbamimidoyl-2-Nitro-Phenyl) 4-(Diaminomethylideneamino)Benzoate, Methanesulfonic Acid
[CAS# 84455-64-1]

Identification

• Name: (4-Carbamimidoyl-2-Nitro-Phenyl) 4-(Diaminomethylideneamino)Benzoate, Methanesulfonic Acid
• Synonyms: (4-Carbamimidoyl-2-Nitro-Phenyl) 4-Guanidinobenzoate; Methanesulfonic Acid; 4-Guanidinobenzoic Acid (4-Carbamimidoyl-2-Nitrophenyl) Ester; Methanesulfonic Acid; 4-Guanidinobenzoic Acid (4-Amidino-2-Nitro-Phenyl) Ester; Methanesulfonic Acid
• Molecular Formula: C₁₇H₂₂N₆O₁₀S₂
• Molecular Weight: 534.52
• CAS Registry Number: 84455-64-1
• SMILES: C[S](O)(=O)=O.C[S](O)(=O)=O.C1=C(C=CC(=C1[N+]([O-])=O)OC(=O)C2=CC=C(N=C(N)N)C=C2)C(N)=N
• InChI: 1S/C15H14N6O4.2CH4O3S/c16-13(17)9-3-6-12(11(7-9)21(23)24)25-14(22)8-1-4-10(5-2-8)20-15(18)19;2*1-5(2,3)4/h1-7H,(H3,16,17)(H4,18,19,20);2*1H3,(H,2,3,4)
• InChIKey: GVXFJNRMNCOYAX-UHFFFAOYSA-N

Properties

• Boiling point: 650.1°C at 760 mmHg (Cal.)
• Flash point: 347°C (Cal.)