Thiocarbonic Acid O-(2-Sec-Butyl-4,6-Dinitrophenyl)S-Ethyl Ester
[CAS# 6074-15-3]

Identification

• Name: Thiocarbonic Acid O-(2-Sec-Butyl-4,6-Dinitrophenyl)S-Ethyl Ester
• Synonyms: (2,4-Dinitro-6-Sec-Butyl-Phenyl) Ethylsulfanylformate; (Ethylthio)Formic Acid (2,4-Dinitro-6-Sec-Butylphenyl) Ester; (Ethylthio)Formic Acid (2,4-Dinitro-6-Sec-Butyl-Phenyl) Ester
• Molecular Formula: C₁₃H₁₆N₂O₆S
• Molecular Weight: 328.34
• CAS Registry Number: 6074-15-3
• SMILES: C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C1C(CC)C)OC(SCC)=O
• InChI: 1S/C13H16N2O6S/c1-4-8(3)10-6-9(14(17)18)7-11(15(19)20)12(10)21-13(16)22-5-2/h6-8H,4-5H2,1-3H3
• InChIKey: QKKGMEKXCCXHKQ-UHFFFAOYSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 433.254°C at 760 mmHg (Cal.)
• Flash point: 215.825°C (Cal.)