4-[(4-Bromophenyl)Sulfanyl]-3-Nitrobenzaldehyde
[CAS# 175278-49-6]

Identification

• Name: 4-[(4-Bromophenyl)Sulfanyl]-3-Nitrobenzaldehyde
• Synonyms: 4-((4-bromophenyl)thio)-3-nitrobenzaldehyde; 4-(4-Bromophenylthio)-3-nitrobenzaldehyde; 4-[(4-Bromophenyl)sulfanyl]-3-nitrobenzenecarbaldehyde
• Molecular Formula: C₁₃H₈BrNO₃S
• Molecular Weight: 338.18
• CAS Registry Number: 175278-49-6
• SMILES: Brc2ccc(Sc1ccc(C=O)cc1[N+]([O-])=O)cc2
• InChI: 1S/C13H8BrNO3S/c14-10-2-4-11(5-3-10)19-13-6-1-9(8-16)7-12(13)15(17)18/h1-8H
• InChIKey: NIKKSXPLNKTMPF-UHFFFAOYSA-N

Properties

• Density: 1.672g/cm³ (Cal.)
• Melting point: 138-139°C (Expl.)
• Boiling point: 461.628°C at 760 mmHg (Cal.)
• Flash point: 232.985°C (Cal.)
• Refractive index: 1.701 (Cal.)

Safety Data

• Safety Description: IRRITANT