Cas no 191861-18-4 (1,7-Phenanthroline,3,9-difluoro-)
191861-18-4 structure
Product Name:1,7-Phenanthroline,3,9-difluoro-
CAS No:191861-18-4
MF:C12H6F2N2
MW:216.186249256134
CID:227484
PubChem ID:154842
Update Time:2025-04-19
1,7-Phenanthroline,3,9-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Phenanthroline,3,9-difluoro-
- 3,9-Difluoro-1,7-phenanthroline
- DTXSID50172726
- CCRIS 7843
- 191861-18-4
-
- Inchi： 1S/C12H6F2N2/c13-8-3-7-1-2-11-10(12(7)16-6-8)4-9(14)5-15-11/h1-6H
- InChI Key： OMYJICXWQGYTMH-UHFFFAOYSA-N
- SMILES： FC1C=NC2C=CC3=CC(=CN=C3C=2C=1)F
Computed Properties
- Exact Mass: 216.04998
- Monoisotopic Mass: 216.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.417
- Boiling Point: 371.7°C at 760 mmHg
- Flash Point: 178.6°C
- Refractive Index: 1.687
- PSA: 25.78
1,7-Phenanthroline,3,9-difluoro- Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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