Butamben Picrate
[CAS# 577-48-0]

Identification

• Name: Butamben Picrate
• Synonyms: Butyl 4-Aminobenzoate; Picric Acid; 4-Aminobenzoic Acid Butyl Ester; Picric Acid; Butamben Picrate [Usan]
• Molecular Formula: C₁₇H₁₈N₄O₉
• Molecular Weight: 422.35
• CAS Registry Number: 577-48-0
• SMILES: C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C1[N+]([O-])=O)O.C2=C(C(OCCCC)=O)C=CC(=C2)N
• InChI: 1S/C11H15NO2.C6H3N3O7/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7H,2-3,8,12H2,1H3;1-2,10H
• InChIKey: IILLLWNYLXKZAJ-UHFFFAOYSA-N

Properties

• Boiling point: 303.6°C at 760 mmHg (Cal.)
• Flash point: 133.9°C (Cal.)