Cas no 79-49-2 (propanone, pentabromo-)
propanone, pentabromo- structure
Product Name:propanone, pentabromo-
propanone, pentabromo- Chemical and Physical Properties
Names and Identifiers
-
- propanone, pentabromo-
- 1,1,1,3,3-pentabromopropan-2-one
- 2-Propanone, 1,1,1,3,3-pentabromo-
- Pentabromoacetone
- UNII-FL257I110Y
- 1,1,1,3,3-Pentabromo-2-propanone
- SCHEMBL2810915
- Q27278046
- PENTABROMO-2-PROPANONE
- PENTABROMOACETONE [MI]
- Pentabromaceton
- 79-49-2
- FL257I110Y
- PENTABROMOPROPANONE
- 2-PROPANONE, PENTABROMO-
- DTXSID10229487
- 1,1,3,3,3-PENTABROMOACETONE
-
- Inchi： 1S/C3HBr5O/c4-2(5)1(9)3(6,7)8/h2H
- InChI Key： OEQPNRAFDGLBAW-UHFFFAOYSA-N
- SMILES： BrC(C(C(Br)Br)=O)(Br)Br
Computed Properties
- Exact Mass: 447.59423
- Monoisotopic Mass: 447.59443g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 114
- 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
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 3.0584 (rough estimate)
- Melting Point: 76° (sublimes above mp)
- Refractive Index: 1.5000 (estimate)
- PSA: 17.07
propanone, pentabromo- Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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