Cas no 1823367-47-0 (1-(4,5-Dibromothiophen-3-yl)ethanone)
1823367-47-0 structure
Product Name:1-(4,5-Dibromothiophen-3-yl)ethanone
CAS No:1823367-47-0
MF:C6H4Br2OS
MW:283.96835899353
CID:6631377
PubChem ID:72183261
Update Time:2024-01-11
1-(4,5-Dibromothiophen-3-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(4,5-dibromo-3-thienyl)-
- 1-(4,5-Dibromothiophen-3-yl)ethanone
- 1823367-47-0
-
- Inchi： 1S/C6H4Br2OS/c1-3(9)4-2-10-6(8)5(4)7/h2H,1H3
- InChI Key： LJCYVAWOEDWAGN-UHFFFAOYSA-N
- SMILES： C(=O)(C1C(Br)=C(Br)SC=1)C
Computed Properties
- Exact Mass: 283.83291g/mol
- Monoisotopic Mass: 281.83496g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 151
- 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: 3
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- Density: 1.988±0.06 g/cm3(Predicted)
- Boiling Point: 321.6±42.0 °C(Predicted)
1-(4,5-Dibromothiophen-3-yl)ethanone Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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