3-(1-Nitroethyl)-2-Benzofuran-1(3H)-One
[CAS# 79017-08-6]

Identification

• Name: 3-(1-Nitroethyl)-2-Benzofuran-1(3H)-One
• Synonyms: (3R)-3-[(1S)-1-Nitroethyl]-3H-Isobenzofuran-1-One; Zinc00167803
• Molecular Formula: C₁₀H₉NO₄
• Molecular Weight: 207.19
• CAS Registry Number: 79017-08-6
• SMILES: [C@H]1(OC(=O)C2=CC=CC=C12)[C@@H]([N+]([O-])=O)C
• InChI: 1S/C10H9NO4/c1-6(11(13)14)9-7-4-2-3-5-8(7)10(12)15-9/h2-6,9H,1H3/t6-,9-/m0/s1
• InChIKey: FCWYFQGGRBDNRW-RCOVLWMOSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 398.592°C at 760 mmHg (Cal.)
• Flash point: 201.031°C (Cal.)