(2-Butan-2-Yl-4,6-Dinitrophenyl) Acetate
[CAS# 2813-95-8]

Identification

• Classification: Analytical chemistry >> Standard >> Pesticides, veterinary drugs and fertilizers
• Name: (2-Butan-2-Yl-4,6-Dinitrophenyl) Acetate
• Synonyms: (2,4-Dinitro-6-Sec-Butyl-Phenyl) Acetate; Acetic Acid (2,4-Dinitro-6-Sec-Butylphenyl) Ester; Acetic Acid (2,4-Dinitro-6-Sec-Butyl-Phenyl) Ester
• Molecular Formula: C₁₂H₁₄N₂O₆
• Molecular Weight: 282.25
• CAS Registry Number: 2813-95-8
• EINECS: 220-560-1
• SMILES: C1=C([N+]([O-])=O)C(=C(C=C1[N+]([O-])=O)C(CC)C)OC(=O)C
• InChI: 1S/C12H14N2O6/c1-4-7(2)10-5-9(13(16)17)6-11(14(18)19)12(10)20-8(3)15/h5-7H,4H2,1-3H3
• InChIKey: RDJTWDKSYLLHRW-UHFFFAOYSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 363.679°C at 760 mmHg (Cal.)
• Flash point: 145.096°C (Cal.)