Thiocarbonic Acid O-(2-Sec-Butyl-4,6-Dinitrophenyl)S-Propyl Ester
[CAS# 14355-12-5]

Identification

• Name: Thiocarbonic Acid O-(2-Sec-Butyl-4,6-Dinitrophenyl)S-Propyl Ester
• Synonyms: (2,4-Dinitro-6-Sec-Butyl-Phenyl) Propylsulfanylformate; (Propylthio)Formic Acid (2,4-Dinitro-6-Sec-Butylphenyl) Ester; (Propylthio)Formic Acid (2,4-Dinitro-6-Sec-Butyl-Phenyl) Ester
• Molecular Formula: C₁₄H₁₈N₂O₆S
• Molecular Weight: 342.37
• CAS Registry Number: 14355-12-5
• SMILES: C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C1C(CC)C)OC(SCCC)=O
• InChI: 1S/C14H18N2O6S/c1-4-6-23-14(17)22-13-11(9(3)5-2)7-10(15(18)19)8-12(13)16(20)21/h7-9H,4-6H2,1-3H3
• InChIKey: MFALETYLLPRSRG-UHFFFAOYSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 445.228°C at 760 mmHg (Cal.)
• Flash point: 223.066°C (Cal.)