2,4-Dinitro-6-Tert-Butyl-3-Methylphenyl Chloroacetate
[CAS# 17317-16-7]

Identification

• Name: 2,4-Dinitro-6-Tert-Butyl-3-Methylphenyl Chloroacetate
• Synonyms: (6-Tert-Butyl-3-Methyl-2,4-Dinitro-Phenyl) 2-Chloroacetate; 2-Chloroacetic Acid (6-Tert-Butyl-3-Methyl-2,4-Dinitrophenyl) Ester; 2-Chloroacetic Acid (6-Tert-Butyl-3-Methyl-2,4-Dinitro-Phenyl) Ester
• Molecular Formula: C₁₃H₁₅ClN₂O₆
• Molecular Weight: 330.72
• CAS Registry Number: 17317-16-7
• SMILES: C1=C(C(=C([N+]([O-])=O)C(=C1[N+]([O-])=O)C)OC(=O)CCl)C(C)(C)C
• InChI: 1S/C13H15ClN2O6/c1-7-9(15(18)19)5-8(13(2,3)4)12(11(7)16(20)21)22-10(17)6-14/h5H,6H2,1-4H3
• InChIKey: JRKZLGWGNZPRNC-UHFFFAOYSA-N

Properties

• Density: 1.349g/cm³ (Cal.)
• Boiling point: 407.034°C at 760 mmHg (Cal.)
• Flash point: 199.967°C (Cal.)