N-[4-(Methylsulfonyl)-2-nitrophenyl]-1,2-ethanediamine
[CAS# 849035-93-4]

Identification

• Name: N-[4-(Methylsulfonyl)-2-nitrophenyl]-1,2-ethanediamine
• Synonyms: 1-[(2-aminoethyl)amino]-4-(methylsulfonyl)-2-nitrobenzene; N-(2-aminoethyl)-4-methanesulfonyl-2-nitroaniline; N-(2-aminoethyl)-N-[4-(methylsulfonyl)-2-nitrophenyl]amine
• Molecular Formula: C₉H₁₃N₃O₄S
• Molecular Weight: 259.28
• CAS Registry Number: 849035-93-4
• SMILES: O=S(=O)(c1ccc(NCCN)c(c1)[N+]([O-])=O)C
• InChI: 1S/C9H13N3O4S/c1-17(15,16)7-2-3-8(11-5-4-10)9(6-7)12(13)14/h2-3,6,11H,4-5,10H2,1H3
• InChIKey: ZGBKVAJKDAKXKZ-UHFFFAOYSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Melting point: 144-145°C (Expl.)
• Boiling point: 509.125°C at 760 mmHg (Cal.)
• Flash point: 261.71°C (Cal.)
• Refractive index: 1.603 (Cal.)