2-(Fluoromethyl)-3-(Phytyl)-1,4-Naphthoquinone 2,3-Epoxide
[CAS# 122408-83-7]

Identification

• Name: 2-(Fluoromethyl)-3-(Phytyl)-1,4-Naphthoquinone 2,3-Epoxide
• Synonyms: 1A-(Fluoromethyl)-7A-[(E)-3,7,11,15-Tetramethylhexadec-2-Enyl]Naphtho[2,3-B]Oxirene-2,7-Quinone; 2-(Fluoromethyl)-3-(Phytyl)-1,4-Naphthoquione 2,3-Epoxide; 2-Fmpnqe
• Molecular Formula: C₃₁H₄₅FO₃
• Molecular Weight: 484.69
• CAS Registry Number: 122408-83-7
• SMILES: C1=CC=CC3=C1C(=O)C2(OC2(C3=O)CF)C\C=C(\CCCC(CCCC(CCCC(C)C)C)C)C
• InChI: 1S/C31H45FO3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3/b25-19+
• InChIKey: IOBYLHHKZAVEDW-NCELDCMTSA-N

Properties

• Density: 1.044g/cm³ (Cal.)
• Boiling point: 573.237°C at 760 mmHg (Cal.)
• Flash point: 289.35°C (Cal.)