2-Ethyl-1,3-Benzodioxole
[CAS# 5770-67-2]

Identification

• Name: 2-Ethyl-1,3-Benzodioxole
• Synonyms: N-[(3E)-3-(5,6-Dimethyl-3H-1,3-Benzoxazol-2-Ylidene)-4-Oxo-1-Cyclohexa-1,5-Dienyl]-3-Nitro-Benzamide; N-[(3E)-3-(5,6-Dimethyl-3H-1,3-Benzoxazol-2-Ylidene)-4-Keto-1-Cyclohexa-1,5-Dienyl]-3-Nitro-Benzamide
• Molecular Formula: C₂₂H₁₇N₃O₅
• Molecular Weight: 403.39
• CAS Registry Number: 5770-67-2
• SMILES: C1=C(C(=CC2=C1NC(/O2)=C\4C=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=CC4=O)C)C
• InChI: 1S/C22H17N3O5/c1-12-8-18-20(9-13(12)2)30-22(24-18)17-11-15(6-7-19(17)26)23-21(27)14-4-3-5-16(10-14)25(28)29/h3-11,24H,1-2H3,(H,23,27)/b22-17+
• InChIKey: BWMPJFQIMUIGIJ-OQKWZONESA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 592.573°C at 760 mmHg (Cal.)
• Flash point: 312.177°C (Cal.)