Octadecaneperoxoic Acid
[CAS# 5796-86-1]

Identification

• Name: Octadecaneperoxoic Acid
• Synonyms: 2-[(2-Fluorobenzoyl)Amino]-6-Methyl-N-Propyl-4,5,6,7-Tetrahydrobenzothiophene-3-Carboxamide; 2-[[(2-Fluorophenyl)-Oxomethyl]Amino]-6-Methyl-N-Propyl-4,5,6,7-Tetrahydrobenzothiophene-3-Carboxamide; 2-[(2-Fluorophenyl)Carbonylamino]-6-Methyl-N-Propyl-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
• Molecular Formula: C₂₀H₂₃FN₂O₂S
• Molecular Weight: 374.47
• CAS Registry Number: 5796-86-1
• SMILES: C1=CC=CC(=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)NCCC)F
• InChI: 1S/C20H23FN2O2S/c1-3-10-22-19(25)17-14-9-8-12(2)11-16(14)26-20(17)23-18(24)13-6-4-5-7-15(13)21/h4-7,12H,3,8-11H2,1-2H3,(H,22,25)(H,23,24)
• InChIKey: WFYYIVPEDGWHKW-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 439.468°C at 760 mmHg (Cal.)
• Flash point: 219.583°C (Cal.)