1-[3-Nitro-4-(phenylsulfanyl)phenyl]ethanone
[CAS# 92163-78-5]

Identification

• Name: 1-[3-Nitro-4-(phenylsulfanyl)phenyl]ethanone
• Synonyms: 1-acetyl-3-nitro-4-phenylthiobenzene; Maybridge1_004151; ZINC00164859
• Molecular Formula: C₁₄H₁₁NO₃S
• Molecular Weight: 273.31
• CAS Registry Number: 92163-78-5
• SMILES: CC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]
• InChI: 1S/C14H11NO3S/c1-10(16)11-7-8-14(13(9-11)15(17)18)19-12-5-3-2-4-6-12/h2-9H,1H3
• InChIKey: JGCWPFNPSPTELC-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 396.1±32.0°C at 760 mmHg (Cal.)
• Flash point: 193.4±25.1°C (Cal.)