3,3'-(3,3,4,4,5,5-Hexafluoro-1-Cyclopentene-1,2-Diyl)Bis(2,4-Dimethyl-5-Phenylthiophene)
[CAS# 172612-67-8]

Identification

• Name: 3,3'-(3,3,4,4,5,5-Hexafluoro-1-Cyclopentene-1,2-Diyl)Bis(2,4-Dimethyl-5-Phenylthiophene)
• Synonyms: 1,2-Bis(2,4-dimethyl-5-phenyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentene; InChI=1/C29H22F6S2/c1-15-21(17(3)36-25(15)19-11-7-5-8-12-19)23-24(28(32,33)29(34,35)27(23,30)31)22-16(2)26(37-18(22)4)20-13-9-6-10-14-20/h5-14H,1-4H3
• Molecular Formula: C₂₉H₂₂F₆S₂
• Molecular Weight: 548.61
• CAS Registry Number: 172612-67-8
• SMILES: CC1=C(SC(=C1C2=C(C(C(C2(F)F)(F)F)(F)F)C3=C(SC(=C3C)C4=CC=CC=C4)C)C)C5=CC=CC=C5
• InChI: 1S/C29H22F6S2/c1-15-21(17(3)36-25(15)19-11-7-5-8-12-19)23-24(28(32,33)29(34,35)27(23,30)31)22-16(2)26(37-18(22)4)20-13-9-6-10-14-20/h5-14H,1-4H3
• InChIKey: DYZAFEDVNIEMEL-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 536.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 278.0±30.1°C (Cal.)
• Refractive index: 1.605 (Cal.)

References

• (1): Yukihide Ishibashi, Katsuki Okuno, Chikashi Ota, Toshiyuki Umesato, Tetsuro Katayama, Masataka Murakami, Seiya Kobatake, Masahiro Irie and Hiroshi Miyasaka. Multiphoton-gated cycloreversion reactions of photochromic diarylethene derivatives with low reaction yields upon one-photon visible excitation, Photochem. Photobiol. Sci., 2010, 9, 172.