Cas no 25465-14-9 (Phenoxathiin,2,8-difluoro-)
Phenoxathiin,2,8-difluoro- structure
Product Name:Phenoxathiin,2,8-difluoro-
CAS No:25465-14-9
MF:C12H6F2OS
MW:236.237248897552
CID:285124
PubChem ID:186095
Update Time:2025-04-19
Phenoxathiin,2,8-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- Phenoxathiin,2,8-difluoro-
- 2,8-difluorophenoxathiine
- Phenoxathiin, 2,8-difluoro-
- 25465-14-9
- SCHEMBL9511329
- DTXSID90180148
-
- Inchi： 1S/C12H6F2OS/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H
- InChI Key： BGVHXQMRCYDRDI-UHFFFAOYSA-N
- SMILES： S1C2C=C(C=CC=2OC2C=CC(=CC1=2)F)F
Computed Properties
- Exact Mass: 236.01078
- Monoisotopic Mass: 236.011
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 239
- 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: 4.7
- Topological Polar Surface Area: 34.5?2
Experimental Properties
- Density: 1.431
- Boiling Point: 308.7°C at 760 mmHg
- Flash Point: 140.5°C
- Refractive Index: 1.633
- PSA: 9.23
Phenoxathiin,2,8-difluoro- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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