5-Methyl-1,3-Dinitro-2-Phenylsulfanyl-Benzene
[CAS# 5465-69-0]

Identification

• Name: 5-Methyl-1,3-Dinitro-2-Phenylsulfanyl-Benzene
• Synonyms: 5-Methyl-1,3-Dinitro-2-Phenylsulfanyl-Benzene; 5-Methyl-1,3-Dinitro-2-(Phenylthio)Benzene; Nsc25829
• Molecular Formula: C₁₃H₁₀N₂O₄S
• Molecular Weight: 290.29
• CAS Registry Number: 5465-69-0
• SMILES: C1=C(C=C(C(=C1[N+]([O-])=O)SC2=CC=CC=C2)[N+]([O-])=O)C
• InChI: 1S/C13H10N2O4S/c1-9-7-11(14(16)17)13(12(8-9)15(18)19)20-10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: BBBZZEQWIYJQIE-UHFFFAOYSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 397.26°C at 760 mmHg (Cal.)
• Flash point: 194.056°C (Cal.)