1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane
[CAS# 646455-48-3]

Identification

• Name: 1-[2-Nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane
• Synonyms: 1-[2-Nitro-4-(trifluoromethyl)-phenyl]-1,4-diazepane; 1-[2-Nitro-4-(trifluoromethyl)phenyl]homopiperazine; 1-[2-Nitro-4-(trifluoromethyl)phenyl]homopiperazine hydrochloride
• Molecular Formula: C₁₂H₁₄F₃N₃O₂
• Molecular Weight: 289.25
• CAS Registry Number: 646455-48-3
• SMILES: C1CNCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
• InChI: 1S/C12H14F3N3O2/c13-12(14,15)9-2-3-10(11(8-9)18(19)20)17-6-1-4-16-5-7-17/h2-3,8,16H,1,4-7H2
• InChIKey: NPWQDZRJYNUBQA-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 380.3±42.0°C at 760 mmHg (Cal.)
• Flash point: 183.8±27.9°C (Cal.)
• Refractive index: 1.509 (Cal.)

Safety Data

• Safety Description: R36/37/38