7-Nitro-5-(²H₅)Phenyl-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One
[CAS# 136765-45-2]

Identification

• Classification: Analytical chemistry >> Standard >> Standard material
• Name: 7-Nitro-5-(²H₅)Phenyl-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One
• Synonyms: Nitrazepam-D5
• Molecular Formula: C₁₅H₆D₅N₃O₃
• Molecular Weight: 286.30
• CAS Registry Number: 136765-45-2
• SMILES: [2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-])[2H])[2H]
• InChI: 1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)/i1D,2D,3D,4D,5D
• InChIKey: KJONHKAYOJNZEC-RALIUCGRSA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 496.996°C at 760 mmHg (Cal.)
• Flash point: 254.374°C (Cal.)
• Refractive index: 1.69 (Cal.)