2-[(5-Bromo-2-pyrimidinyl)sulfanyl]aniline
[CAS# 849021-43-8]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Bromopyrimidine
• Name: 2-[(5-Bromo-2-pyrimidinyl)sulfanyl]aniline
• Synonyms: 2-(5-Bromopyrimidin-2-yl)thio]aniline; 2-(5-bromopyrimidin-2-ylthio)aniline; 2-[(5-Bromopyrimidin-2-yl)thio]aniline
• Molecular Formula: C₁₀H₈BrN₃S
• Molecular Weight: 282.16
• CAS Registry Number: 849021-43-8
• SMILES: Brc2cnc(Sc1c(N)cccc1)nc2
• InChI: 1S/C10H8BrN3S/c11-7-5-13-10(14-6-7)15-9-4-2-1-3-8(9)12/h1-6H,12H2
• InChIKey: OWGBPUYHIKFDHK-UHFFFAOYSA-N

Properties

• Density: 1.693g/cm³ (Cal.)
• Melting point: 131-133°C (Expl.)
• Boiling point: 462.568°C at 760 mmHg (Cal.)
• Flash point: 233.553°C (Cal.)
• Refractive index: 1.729 (Cal.)

Safety Data

• Safety Description: IRRITANT