3,3'-(3,3,4,4,5,5-Hexafluoro-1-Cyclopentene-1,2-Diyl)Bis(2-Methyl-1-Benzothiophene)
[CAS# 137814-07-4]

Identification

• Name: 3,3'-(3,3,4,4,5,5-Hexafluoro-1-Cyclopentene-1,2-Diyl)Bis(2-Methyl-1-Benzothiophene)
• Synonyms: 1,2-bis(2-methylbenzothiophen-3-yl)perfluorocyclopentene; 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene; InChI=1/C23H14F6S2/c1-11-17(13-7-3-5-9-15(13)30-11)19-20(22(26,27)23(28,29)21(19,24)25)18-12(2)31-16-10-6-4-8-14(16)18/h3-10H,1-2H3
• Molecular Formula: C₂₃H₁₄F₆S₂
• Molecular Weight: 468.48
• CAS Registry Number: 137814-07-4
• SMILES: CC1=C(C2=CC=CC=C2S1)C3=C(C(C(C3(F)F)(F)F)(F)F)C4=C(SC5=CC=CC=C54)C
• InChI: 1S/C23H14F6S2/c1-11-17(13-7-3-5-9-15(13)30-11)19-20(22(26,27)23(28,29)21(19,24)25)18-12(2)31-16-10-6-4-8-14(16)18/h3-10H,1-2H3
• InChIKey: CNLMHUFAXSWHFA-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 160°C (Expl.)
• Boiling point: 506.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 259.9±30.1°C (Cal.)
• Refractive index: 1.637 (Cal.)

References

• (1): Seiya Kobatake, Kingo Uchida, Eriko Tsuchida and Masahiro Irie. Single-crystalline photochromism of diarylethenes: reactivity–structure relationship, Chem. Commun., 2002, 0, 2804.